1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione

Systemtic Name: 1-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione Openeye Name: 1-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione CAS Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione IUPAC Name: 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-quinone Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c21-14-4-7-20(16(23)17-14)12-15(22)19-6-2-5-18(8-9-19)11-13-3-1-10-24-13/h1,3-4,7,10H,2,5-6,8-9,11-12H2,(H,17,21,23)