N-butyl-2-[6-methyl-4-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]ethanamide

Systemtic Name: N-butyl-2-[6-methyl-4-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-butyl-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-butyl-2-[6-methyl-4-oxo-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-butyl-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-butyl-2-[4-keto-6-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C21H27N7O4S2 MolecularWeight: 505.61358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N7O4S2/c1-3-4-6-22-16(29)13-27-14-25-19-17(20(27)30)18(15(2)33-19)34(31,32)28-11-9-26(10-12-28)21-23-7-5-8-24-21/h5,7-8,14H,3-4,6,9-13H2,1-2H3,(H,22,29)