3-[(4-chlorophenyl)methylamino]-2-(3-methyl-4-nitro-phenyl)pyrido[3,4-d]pyrimidin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methylamino]-2-(3-methyl-4-nitro-phenyl)pyrido[3,4-d]pyrimidin-4-one Openeye Name: 3-[(4-chlorophenyl)methylamino]-2-(3-methyl-4-nitro-phenyl)pyrido[3,4-d]pyrimidin-4-one CAS Name: 3-[(4-chlorophenyl)methylamino]-2-(3-methyl-4-nitrophenyl)-4-pyrido[3,4-d]pyrimidinone IUPAC Name: 3-[(4-chlorophenyl)methylamino]-2-(3-methyl-4-nitrophenyl)pyrido[3,4-d]pyrimidin-4-one Traditional Name: 3-[(4-chlorobenzyl)amino]-2-(3-methyl-4-nitro-phenyl)pyrido[3,4-d]pyrimidin-4-one Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(C=CN=C3)C(=O)N2NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(C=CN=C3)C(=O)N2NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O3/c1-13-10-15(4-7-19(13)27(29)30)20-25-18-12-23-9-8-17(18)21(28)26(20)24-11-14-2-5-16(22)6-3-14/h2-10,12,24H,11H2,1H3