6-azanyl-3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one; ethanedioic acid; hydrate

Systemtic Name: 6-azanyl-3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one; ethanedioic acid; hydrate Openeye Name: 6-amino-3-(o-tolyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one; oxalic acid; hydrate CAS Name: 6-amino-3-(2-methylphenyl)-2-(1-pyrrolidinylmethyl)-4-quinazolinone; oxalic acid; hydrate IUPAC Name: 6-amino-3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one; oxalic acid; hydrate Traditional Name: 6-amino-3-(o-tolyl)-2-(pyrrolidinomethyl)quinazolin-4-one; oxalic acid; hydrate Formula: C24H28N4O10 MolecularWeight: 532.49992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CN4CCCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CN4CCCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C20H22N4O.2C2H2O4.H2O/c1-14-6-2-3-7-18(14)24-19(13-23-10-4-5-11-23)22-17-9-8-15(21)12-16(17)20(24)25;2*3-1(4)2(5)6;/h2-3,6-9,12H,4-5,10-11,13,21H2,1H3;2*(H,3,4)(H,5,6);1H2