[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H21N5O4/c1-24-18-15(11-22-24)20(28)25(12-21-18)10-9-16(26)29-17(13-5-3-2-4-6-13)19(27)23-14-7-8-14/h2-6,11-12,14,17H,7-10H2,1H3,(H,23,27)