5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(quinolin-8-ylamino)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(quinolin-8-ylamino)-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(8-quinolylamino)-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(8-quinolinylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(quinolin-8-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(4-methoxy-3-nitro-benzyl)-6-methyl-2-(8-quinolylamino)-1H-pyrimidin-4-one Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=C2N=CC=C3)CC4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=C2N=CC=C3)CC4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4/c1-13-16(11-14-8-9-19(31-2)18(12-14)27(29)30)21(28)26-22(24-13)25-17-7-3-5-15-6-4-10-23-20(15)17/h3-10,12H,11H2,1-2H3,(H2,24,25,26,28)