ethyl 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[4-piperazino-6-(veratrylamino)pyrimidin-2-yl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C24H31N7O4S MolecularWeight: 513.61244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC(=C(C=C3)OC)OC)N4CCNCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC(=C(C=C3)OC)OC)N4CCNCC4)C

InChI

InChI=1S/C24H31N7O4S/c1-5-35-22(32)21-15(2)27-24(36-21)30-23-28-19(13-20(29-23)31-10-8-25-9-11-31)26-14-16-6-7-17(33-3)18(12-16)34-4/h6-7,12-13,25H,5,8-11,14H2,1-4H3,(H2,26,27,28,29,30)