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4-(4-azanylidene-3-cycloheptyl-6,7-dimethoxy-quinazolin-2-yl)sulfanylbutanenitrile

4-(4-azanylidene-3-cycloheptyl-6,7-dimethoxy-quinazolin-2-yl)sulfanylbutanenitrile

Systemtic Name:4-(4-azanylidene-3-cycloheptyl-6,7-dimethoxy-quinazolin-2-yl)sulfanylbutanenitrile
Openeye Name:4-(3-cycloheptyl-4-imino-6,7-dimethoxy-quinazolin-2-yl)sulfanylbutanenitrile
CAS Name:4-[(3-cycloheptyl-4-imino-6,7-dimethoxy-2-quinazolinyl)thio]butanenitrile
IUPAC Name:4-(3-cycloheptyl-4-imino-6,7-dimethoxyquinazolin-2-yl)sulfanylbutanenitrile
Traditional Name:4-[(3-cycloheptyl-4-imino-6,7-dimethoxy-quinazolin-2-yl)thio]butyronitrile
Formula: C21H28N4O2S
MolecularWeight: 400.53762
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCCCC#N)C3CCCCCC3)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCCCC#N)C3CCCCCC3)OC


InChI

InChI=1S/C21H28N4O2S/c1-26-18-13-16-17(14-19(18)27-2)24-21(28-12-8-7-11-22)25(20(16)23)15-9-5-3-4-6-10-15/h13-15,23H,3-10,12H2,1-2H3


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