N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N5O3S2/c18-14-13(19-15(24)11-6-5-9-26-11)16(25)21-17(20-14)27-10-12(23)22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8,10H2,(H,19,24)(H3,18,20,21,25)