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

Systemtic Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[4-piperazino-6-(piperonylamino)pyrimidin-2-yl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC4=C(C=C3)OCO4)N5CCNCC5)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC4=C(C=C3)OCO4)N5CCNCC5)C

InChI

InChI=1S/C23H27N7O4S/c1-3-32-21(31)20-14(2)26-23(35-20)29-22-27-18(11-19(28-22)30-8-6-24-7-9-30)25-12-15-4-5-16-17(10-15)34-13-33-16/h4-5,10-11,24H,3,6-9,12-13H2,1-2H3,(H2,25,26,27,28,29)