5-ethoxy-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)-6-(2-pyridin-2-ylethyl)quinazolin-4-one; methanamine; dihydrochloride

Systemtic Name: 5-ethoxy-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)-6-(2-pyridin-2-ylethyl)quinazolin-4-one; methanamine; dihydrochloride Openeye Name: 3-benzoyl-2-benzylsulfanyl-5-ethoxy-6-[2-(2-pyridyl)ethyl]quinazolin-4-one; methanamine; dihydrochloride CAS Name: 3-benzoyl-5-ethoxy-2-(phenylmethylthio)-6-[2-(2-pyridinyl)ethyl]-4-quinazolinone; methanamine; dihydrochloride IUPAC Name: 3-benzoyl-2-benzylsulfanyl-5-ethoxy-6-(2-pyridin-2-ylethyl)quinazolin-4-one; methanamine; dihydrochloride Traditional Name: 3-benzoyl-2-(benzylthio)-5-ethoxy-6-[2-(2-pyridyl)ethyl]quinazolin-4-one; methylamine; dihydrochloride Formula: C32H34Cl2N4O3S MolecularWeight: 625.60836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)CCC5=CC=CC=N5.CN.Cl.Cl

Isomeric SMILES

CCOC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)CCC5=CC=CC=N5.CN.Cl.Cl

InChI

InChI=1S/C31H27N3O3S.CH5N.2ClH/c1-2-37-28-23(16-18-25-15-9-10-20-32-25)17-19-26-27(28)30(36)34(29(35)24-13-7-4-8-14-24)31(33-26)38-21-22-11-5-3-6-12-22;1-2;;/h3-15,17,19-20H,2,16,18,21H2,1H3;2H2,1H3;2*1H