1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxo-1-piperazinyl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-ylsulfonyl)-3-keto-piperazino]-2-keto-ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C18H17N5O6S2 MolecularWeight: 463.48748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)N2CCN(C(=O)C2)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N2CCN(C(=O)C2)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5O6S2/c1-11-8-22(17(27)20-16(11)26)9-14(24)21-6-7-23(15(25)10-21)31(28,29)18-19-12-4-2-3-5-13(12)30-18/h2-5,8H,6-7,9-10H2,1H3,(H,20,26,27)