2-[4-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C19H17N5O4S2 MolecularWeight: 443.49938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N5O4S2/c1-12-15-17(25)21-11-22-18(15)29-16(12)19(26)23-6-8-24(9-7-23)30(27,28)14-5-3-2-4-13(14)10-20/h2-5,11H,6-9H2,1H3,(H,21,22,25)