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

Systemtic Name: ethyl 4-[[2-azanyl-5-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[2-amino-5-(4-methyl-1-piperazinyl)phenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-amino-5-(4-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(=C3)N4CCN(CC4)C)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC(=C3)N4CCN(CC4)C)N

InChI

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