N-butyl-2-methyl-3-(2-methylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide hydrate hydrochloride

Systemtic Name: N-butyl-2-methyl-3-(2-methylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide hydrate hydrochloride Openeye Name: N-butyl-2-methyl-3-(o-tolyl)-4-oxo-quinazoline-7-carboxamide hydrate hydrochloride CAS Name: N-butyl-2-methyl-3-(2-methylphenyl)-4-oxo-7-quinazolinecarboxamide hydrate hydrochloride IUPAC Name: N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide hydrate hydrochloride Traditional Name: N-butyl-4-keto-2-methyl-3-(o-tolyl)quinazoline-7-carboxamide hydrate hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)C)C3=CC=CC=C3C.O.Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)C)C3=CC=CC=C3C.O.Cl

InChI

InChI=1S/C21H23N3O2.ClH.H2O/c1-4-5-12-22-20(25)16-10-11-17-18(13-16)23-15(3)24(21(17)26)19-9-7-6-8-14(19)2;;/h6-11,13H,4-5,12H2,1-3H3,(H,22,25);1H;1H2