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

Systemtic Name: ethyl 2-[[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[5-methyl-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=CC=C4C(=O)OCC)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=CC=C4C(=O)OCC)C

InChI

InChI=1S/C24H29N5O3S/c1-4-10-28-11-13-29(14-12-28)21-19-16(3)20(33-23(19)26-15-25-21)22(30)27-18-9-7-6-8-17(18)24(31)32-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,27,30)