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

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)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-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)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-phenylbutylamino)ethyl] ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-4-8-18(16-9-6-5-7-10-16)25-21(29)15(2)31-19(28)11-12-27-14-23-20-17(22(27)30)13-24-26(20)3/h5-7,9-10,13-15,18H,4,8,11-12H2,1-3H3,(H,25,29)