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

Systemtic Name: 3-azanyl-5-(4-ethoxyphenyl)-6-[(4-ethoxyphenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-6-(4-ethoxyanilino)-5-(4-ethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-6-(p-phenetidino)-5-p-phenetyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-3-29-15-9-5-13(6-10-15)23-21-24-19-17(18(22)25-26-19)20(28)27(21)14-7-11-16(12-8-14)30-4-2/h5-12H,3-4H2,1-2H3,(H4,22,23,24,25,26)