N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-4-cyano-benzamide Formula: C21H16ClN7O2 MolecularWeight: 433.85044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)Cl)N

InChI

InChI=1S/C21H16ClN7O2/c1-28-18-14(10-25-20(24)27-18)11-29(21(28)31)17-8-15(6-7-16(17)22)26-19(30)13-4-2-12(9-23)3-5-13/h2-8,10H,11H2,1H3,(H,26,30)(H2,24,25,27)