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

Systemtic Name: N-ethyl-N-(4-ethylphenyl)-2-[6-methyl-4-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-ethyl-N-(4-ethylphenyl)-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-ethyl-N-(4-ethylphenyl)-2-[6-methyl-4-oxo-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-ethyl-N-(4-ethylphenyl)-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-ethyl-N-(4-ethylphenyl)-2-[4-keto-6-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C27H31N7O4S2 MolecularWeight: 581.70954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H31N7O4S2/c1-4-20-7-9-21(10-8-20)34(5-2)22(35)17-32-18-30-25-23(26(32)36)24(19(3)39-25)40(37,38)33-15-13-31(14-16-33)27-28-11-6-12-29-27/h6-12,18H,4-5,13-17H2,1-3H3