93I

7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one

Created:	2021-10-04
Last modified:	2021-12-01

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1 entries where 93I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	6

2D diagram of 93I

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Chemical Component Summary
Name	7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]pyrido[1,2-a]pyrimidin-4-one
Formula	C₂₁ H₂₄ N₄ O₂
Molecular Weight	364.441
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(Nc1ccccc1)C1=CC(C)=CN2C1=NC(=CC2=O)N1CCOCC1
SMILES	CACTVS	3.385	C[CH](Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C
SMILES	OpenEye OEToolkits	2.0.7	CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)Nc3ccccc3)N4CCOCC4
Canonical SMILES	CACTVS	3.385	C[C@@H](Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4
InChI	InChI	1.03	InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1
InChIKey	InChI	1.03	CPRAGQJXBLMUEL-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1957875
PubChem	51601993
ChEMBL	CHEMBL1957875

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