diethyl 3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1,1-dicarboxylate

Systemtic Name: diethyl 3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1,1-dicarboxylate Openeye Name: diethyl 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1,1-dicarboxylate CAS Name: 3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]cyclobutane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1,1-dicarboxylate Traditional Name: 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1,1-dicarboxylic acid diethyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)C(=O)OCC

InChI

InChI=1S/C27H27N5O5/c1-3-35-25(33)27(26(34)36-4-2)14-18(15-27)32-24-21(23(28)29-16-30-24)22(31-32)17-10-12-20(13-11-17)37-19-8-6-5-7-9-19/h5-13,16,18H,3-4,14-15H2,1-2H3,(H2,28,29,30)