2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N)C(=O)N

InChI

InChI=1S/C15H17N5O3S2/c16-9-5-10(21)20-15(18-9)24-6-11(22)19-14-12(13(17)23)7-3-1-2-4-8(7)25-14/h5H,1-4,6H2,(H2,17,23)(H,19,22)(H3,16,18,20,21)