1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one Openeye Name: 1-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-2-pyrimidinone IUPAC Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one Traditional Name: 1-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC=NC2=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC=NC2=O)CC3=CC=CS3

InChI

InChI=1S/C16H20N4O2S/c21-15(13-20-7-2-5-17-16(20)22)19-8-3-6-18(9-10-19)12-14-4-1-11-23-14/h1-2,4-5,7,11H,3,6,8-10,12-13H2