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

Systemtic Name: 6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H18N4O2S/c13-9-7-10(17)15-12(14-9)19-8-11(18)16-5-3-1-2-4-6-16/h7H,1-6,8H2,(H3,13,14,15,17)