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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)OC)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)OC)NCC4=CC=CC=C4

InChI

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