2-[(4-ethanoylphenyl)amino]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-ethanoylphenyl)amino]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-acetylanilino)-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(4-acetylanilino)-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-acetylanilino)-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-acetylanilino)-5-(2-methoxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N4O5/c1-12-18(11-15-10-17(25(28)29)8-9-19(15)30-3)20(27)24-21(22-12)23-16-6-4-14(5-7-16)13(2)26/h4-10H,11H2,1-3H3,(H2,22,23,24,27)