ethyl 2-[1-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]-3-methyl-butyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]-3-methyl-butyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]-3-methyl-butyl]thiazole-4-carboxylate CAS Name: 2-[1-[(4-chlorophenyl)methyl-(2-pyrimidinyl)amino]-3-methylbutyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl-pyrimidin-2-ylamino]-3-methylbutyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[(4-chlorobenzyl)-(2-pyrimidyl)amino]-3-methyl-butyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C(CC(C)C)N(CC2=CC=C(C=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C(CC(C)C)N(CC2=CC=C(C=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C22H25ClN4O2S/c1-4-29-21(28)18-14-30-20(26-18)19(12-15(2)3)27(22-24-10-5-11-25-22)13-16-6-8-17(23)9-7-16/h5-11,14-15,19H,4,12-13H2,1-3H3