2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C18H21N5O3S4 MolecularWeight: 483.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C18H21N5O3S4/c1-11-12(2)29-17-15(11)16(19)20-18(21-17)28-10-13(24)22-5-7-23(8-6-22)30(25,26)14-4-3-9-27-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21)