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

Systemtic Name: methyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

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