4-methyl-2-[[4-[(phenylmethyl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[[4-[(phenylmethyl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(benzylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-[(phenylmethyl)amino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(benzylamino)-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(benzylamino)-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=CC=C3)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=CC=C3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C20H23N7O2S/c1-13-17(18(28)29)30-20(23-13)26-19-24-15(22-12-14-5-3-2-4-6-14)11-16(25-19)27-9-7-21-8-10-27/h2-6,11,21H,7-10,12H2,1H3,(H,28,29)(H2,22,23,24,25,26)