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

Systemtic Name: methyl 3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 3-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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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)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C22H19N3O2S/c1-13-7-9-15(10-8-13)18-14(2)28-21-19(18)20(23-12-24-21)25-17-6-4-5-16(11-17)22(26)27-3/h4-12H,1-3H3,(H,23,24,25)