1-methyl-7-[(4-pyrazol-1-ylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-methyl-7-[(4-pyrazol-1-ylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-methyl-7-(4-pyrazol-1-ylanilino)pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-methyl-7-[4-(1-pyrazolyl)anilino]-2-pyrimido[4,5-d]pyrimidinone IUPAC Name: 1-methyl-7-(4-pyrazol-1-ylanilino)pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-methyl-7-(4-pyrazol-1-ylanilino)pyrimido[4,5-d]pyrimidin-2-one Formula: C16H13N7O MolecularWeight: 319.32072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2C=NC1=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN1C2=NC(=NC=C2C=NC1=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C16H13N7O/c1-22-14-11(10-18-16(22)24)9-17-15(21-14)20-12-3-5-13(6-4-12)23-8-2-7-19-23/h2-10H,1H3,(H,17,20,21)