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

Systemtic Name: propyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: propyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid propyl ester IUPAC Name: propyl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid propyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-3-12-28-23(27)17-10-7-11-18(13-17)26-21-20-19(16-8-5-4-6-9-16)15(2)29-22(20)25-14-24-21/h4-11,13-14H,3,12H2,1-2H3,(H,24,25,26)