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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-(quinolin-8-ylamino)-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-(8-quinolylamino)-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(8-quinolinylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(quinolin-8-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-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=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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