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

Systemtic Name: 5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate Formula: C21H13N3O4S-2 MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S/c1-11-16(12-5-3-2-4-6-12)17-18(22-10-23-19(17)29-11)24-15-8-13(20(25)26)7-14(9-15)21(27)28/h2-10H,1H3,(H,25,26)(H,27,28)(H,22,23,24)/p-2