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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=NC(=C12)NCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CSC2=NC(=NC(=C12)NCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O2S/c1-14-13-28-21-18(14)20(23-12-15-6-4-3-5-7-15)24-19(25-21)16-8-10-17(11-9-16)22(26)27-2/h3-11,13H,12H2,1-2H3,(H,23,24,25)