N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C20H18FN5O2S/c1-25-19-15(11-23-25)20(28)26(12-22-19)9-8-17(27)24-18(16-3-2-10-29-16)13-4-6-14(21)7-5-13/h2-7,10-12,18H,8-9H2,1H3,(H,24,27)