2-[4-azanyl-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-3-ium-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-azanyl-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-3-ium-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-quinazolin-3-ium-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-quinazolin-3-iumyl]thio]acetonitrile IUPAC Name: 2-[4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxyquinazolin-3-ium-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-amino-3-(2-chlorobenzyl)-6,7-dimethoxy-quinazolin-3-ium-2-yl]thio]acetonitrile Formula: C19H18ClN4O2S+ MolecularWeight: 401.88982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC#N)CC3=CC=CC=C3Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC#N)CC3=CC=CC=C3Cl)N)OC

InChI

InChI=1S/C19H17ClN4O2S/c1-25-16-9-13-15(10-17(16)26-2)23-19(27-8-7-21)24(18(13)22)11-12-5-3-4-6-14(12)20/h3-6,9-10,22H,8,11H2,1-2H3/p+1