3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one CAS Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-2-azepanone IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]azepan-2-one Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C10H14N4O2S/c11-7-5-8(15)14-10(13-7)17-6-3-1-2-4-12-9(6)16/h5-6H,1-4H2,(H,12,16)(H3,11,13,14,15)