ethyl 4-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(3-oxidanylidenepiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(3-oxidanylidenepiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[4-(4-methyl-1-piperazinyl)-6-(3-oxo-1-piperazinyl)-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-(3-oxopiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(3-ketopiperazino)-6-(4-methylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H28N8O3S MolecularWeight: 460.55312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)N3CCN(CC3)C)N4CCNC(=O)C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)N3CCN(CC3)C)N4CCNC(=O)C4)C

InChI

InChI=1S/C20H28N8O3S/c1-4-31-18(30)17-13(2)22-20(32-17)25-19-23-14(27-9-7-26(3)8-10-27)11-15(24-19)28-6-5-21-16(29)12-28/h11H,4-10,12H2,1-3H3,(H,21,29)(H,22,23,24,25)