6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C16H19N3O2S/c1-17-12(10-15(20)18(2)16(17)21)11-19-8-5-9-22-14-7-4-3-6-13(14)19/h3-4,6-7,10H,5,8-9,11H2,1-2H3