1,3-dimethyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[4-(2-thenyl)-1,4-diazepan-1-yl]methyl]pyrimidine-2,4-quinone Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CN2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CN2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H24N4O2S/c1-18-14(11-16(22)19(2)17(18)23)12-20-6-4-7-21(9-8-20)13-15-5-3-10-24-15/h3,5,10-11H,4,6-9,12-13H2,1-2H3