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

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-3-phenyl-propanamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-3-phenyl-propanamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-3-phenylpropanamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-3-phenylpropanamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-3-phenyl-propionamide Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O2/c1-28-20-15(12-25-21(24)27-20)13-29(22(28)31)18-11-16(8-9-17(18)23)26-19(30)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,26,30)(H2,24,25,27)