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

Systemtic Name: ethyl 2-[[4-[(4-methoxycarbonylphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[(4-methoxycarbonylphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(4-methoxycarbonylphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-methoxycarbonylphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[(4-carbomethoxybenzyl)amino]-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C24H29N7O4S MolecularWeight: 511.59656

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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)C(=O)OC)N4CCNCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O4S/c1-4-35-22(33)20-15(2)27-24(36-20)30-23-28-18(13-19(29-23)31-11-9-25-10-12-31)26-14-16-5-7-17(8-6-16)21(32)34-3/h5-8,13,25H,4,9-12,14H2,1-3H3,(H2,26,27,28,29,30)