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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[(4-methoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[(4-methoxyphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[(4-methoxyphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-(p-anisylamino)-6-piperazino-pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C21H25N7O3S MolecularWeight: 455.5333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O3S/c1-13-18(19(29)30)32-21(24-13)27-20-25-16(11-17(26-20)28-9-7-22-8-10-28)23-12-14-3-5-15(31-2)6-4-14/h3-6,11,22H,7-10,12H2,1-2H3,(H,29,30)(H2,23,24,25,26,27)