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

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-3-(3-pyridyl)propanamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-3-(3-pyridyl)propionamide Formula: C21H20ClN7O2 MolecularWeight: 437.8822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)CCC4=CN=CC=C4)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)CCC4=CN=CC=C4)Cl)N

InChI

InChI=1S/C21H20ClN7O2/c1-28-19-14(11-25-20(23)27-19)12-29(21(28)31)17-9-15(5-6-16(17)22)26-18(30)7-4-13-3-2-8-24-10-13/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,26,30)(H2,23,25,27)