methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid methyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C26H25N5O3S/c1-17-21-23(31-14-12-30(13-15-31)18-8-4-3-5-9-18)27-16-28-25(21)35-22(17)24(32)29-20-11-7-6-10-19(20)26(33)34-2/h3-11,16H,12-15H2,1-2H3,(H,29,32)