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

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-1H-indole-2-carboxamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-1H-indole-2-carboxamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-1H-indole-2-carboxamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-1H-indole-2-carboxamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]-1H-indole-2-carboxamide Formula: C22H18ClN7O2 MolecularWeight: 447.87702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5N4)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5N4)Cl)N

InChI

InChI=1S/C22H18ClN7O2/c1-29-19-13(10-25-21(24)28-19)11-30(22(29)32)18-9-14(6-7-15(18)23)26-20(31)17-8-12-4-2-3-5-16(12)27-17/h2-10,27H,11H2,1H3,(H,26,31)(H2,24,25,28)