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

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)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-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)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-(2-thenylamino)ethyl] ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C17H19N5O4S/c1-11(16(24)18-8-12-4-3-7-27-12)26-14(23)5-6-22-10-19-15-13(17(22)25)9-20-21(15)2/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,18,24)