5-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]isophthalate Formula: C22H15N3O4S-2 MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C22H17N3O4S/c1-11-3-5-13(6-4-11)17-12(2)30-20-18(17)19(23-10-24-20)25-16-8-14(21(26)27)7-15(9-16)22(28)29/h3-10H,1-2H3,(H,26,27)(H,28,29)(H,23,24,25)/p-2