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

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]benzothiophene-2-carboxamide Formula: C22H17ClN6O2S MolecularWeight: 464.92738

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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=C5S4)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5S4)Cl)N

InChI

InChI=1S/C22H17ClN6O2S/c1-28-19-13(10-25-21(24)27-19)11-29(22(28)31)16-9-14(6-7-15(16)23)26-20(30)18-8-12-4-2-3-5-17(12)32-18/h2-10H,11H2,1H3,(H,26,30)(H2,24,25,27)