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

Systemtic Name: 4-[[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]methyl]benzoate IUPAC Name: 4-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-13-23-19(22-11-14-7-9-16(10-8-14)21(25)26)18-17(12-27-20(18)24-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,25,26)(H,22,23,24)/p-1