5,7-bis(azanyl)-3-(2,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)amino]pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 5,7-bis(azanyl)-3-(2,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)amino]pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5,7-diamino-2-(2,5-dimethylanilino)-3-(2,5-dimethylphenyl)pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5,7-diamino-2-(2,5-dimethylanilino)-3-(2,5-dimethylphenyl)-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5,7-diamino-2-(2,5-dimethylanilino)-3-(2,5-dimethylphenyl)pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5,7-diamino-2-(2,5-dimethylanilino)-3-(2,5-dimethylphenyl)pyrimido[4,5-d]pyrimidin-4-one Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC3=C(C(=NC(=N3)N)N)C(=O)N2C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC3=C(C(=NC(=N3)N)N)C(=O)N2C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H23N7O/c1-11-5-7-13(3)15(9-11)25-22-28-19-17(18(23)26-21(24)27-19)20(30)29(22)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H5,23,24,25,26,27,28)