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

Systemtic Name: 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[(3,4-dimethoxyphenyl)methylamino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-piperazino-6-(veratrylamino)pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C22H27N7O4S MolecularWeight: 485.55928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O4S/c1-13-19(20(30)31)34-22(25-13)28-21-26-17(11-18(27-21)29-8-6-23-7-9-29)24-12-14-4-5-15(32-2)16(10-14)33-3/h4-5,10-11,23H,6-9,12H2,1-3H3,(H,30,31)(H2,24,25,26,27,28)