2-[(3-aminophenyl)amino]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-aminophenyl)amino]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(3-aminoanilino)-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(3-aminoanilino)-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(3-aminoanilino)-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(3-aminoanilino)-5-(2-hydroxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-10-15(8-11-7-14(23(26)27)5-6-16(11)24)17(25)22-18(20-10)21-13-4-2-3-12(19)9-13/h2-7,9,24H,8,19H2,1H3,(H2,20,21,22,25)