ethyl 4-[[2-azanyl-6-(2-methylpiperazin-1-yl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[[2-azanyl-6-(2-methylpiperazin-1-yl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[2-amino-6-(2-methylpiperazin-1-yl)phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[2-amino-6-(2-methyl-1-piperazinyl)phenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-amino-6-(2-methylpiperazin-1-yl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-amino-6-(2-methylpiperazino)benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC=C3N)N4CCNCC4C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC=C3N)N4CCNCC4C

InChI

InChI=1S/C23H28N6O2S/c1-3-31-23(30)20-21(28-22(32-20)16-7-9-25-10-8-16)27-14-17-18(24)5-4-6-19(17)29-12-11-26-13-15(29)2/h4-10,15,26-27H,3,11-14,24H2,1-2H3