SZW

3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile

Created:	2020-12-08
Last modified:	2020-12-16

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1 entries where SZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	15

2D diagram of SZW

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Chemical Component Summary
Name	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Systematic Name (OpenEye OEToolkits)	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Formula	C₁₉ H₂₁ Cl N₆
Molecular Weight	368.863
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
SMILES	OpenEye OEToolkits	2.0.7	CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)C4CCCN(C4)CCC#N
Canonical SMILES	CACTVS	3.385	CN([C@H]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N
InChI	InChI	1.03	InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKey	InChI	1.03	DLORPOXOKVMFDB-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	155289352

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