[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)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 [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 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-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H23N5O4/c1-13(15-7-5-4-6-8-15)23-19(27)14(2)29-17(26)9-10-25-12-21-18-16(20(25)28)11-22-24(18)3/h4-8,11-14H,9-10H2,1-3H3,(H,23,27)