74Z

N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

Created:	2016-08-24
Last modified:	2016-11-02

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1 entries where 74Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	15

2D diagram of 74Z

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Chemical Component Summary
Name	N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula	C₁₅ H₁₅ N₃ O S
Molecular Weight	285.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1nc(c2c(n1)sc3CCCCc23)NCc4ccco4
SMILES	CACTVS	3.385	C1CCc2c(C1)sc3ncnc(NCc4occc4)c23
SMILES	OpenEye OEToolkits	2.0.5	c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4
Canonical SMILES	CACTVS	3.385	C1CCc2c(C1)sc3ncnc(NCc4occc4)c23
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4
InChI	InChI	1.03	InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)
InChIKey	InChI	1.03	OZBAWCPXMIEVSW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	837191
ChEMBL	CHEMBL3915117

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