3-azanyl-5-(4-ethoxyphenyl)-6-[(4-ethoxyphenyl)amino]-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-ethoxyphenyl)-6-[(4-ethoxyphenyl)amino]-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-2-phenyl-6-(p-phenetidino)-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC3=NN(C(=C3C(=O)N2C4=CC=C(C=C4)OCC)N)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC3=NN(C(=C3C(=O)N2C4=CC=C(C=C4)OCC)N)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O3/c1-3-35-21-14-10-18(11-15-21)29-27-30-25-23(24(28)33(31-25)20-8-6-5-7-9-20)26(34)32(27)19-12-16-22(17-13-19)36-4-2/h5-17H,3-4,28H2,1-2H3,(H,29,30,31)