5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(pyridin-2-ylamino)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(pyridin-2-ylamino)-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(2-pyridylamino)-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(2-pyridinylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(pyridin-2-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(4-methoxy-3-nitro-benzyl)-6-methyl-2-(2-pyridylamino)-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=N2)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC=N2)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c1-11-13(9-12-6-7-15(27-2)14(10-12)23(25)26)17(24)22-18(20-11)21-16-5-3-4-8-19-16/h3-8,10H,9H2,1-2H3,(H2,19,20,21,22,24)