2-[2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[1-(2-hydroxyethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NC4=C3C=NN4CCO)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NC4=C3C=NN4CCO)C(=O)N

InChI

InChI=1S/C18H20N6O3S2/c19-15(27)14-10-3-1-2-4-12(10)29-18(14)23-13(26)8-28-17-11-7-22-24(5-6-25)16(11)20-9-21-17/h7,9,25H,1-6,8H2,(H2,19,27)(H,23,26)