ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=NN=CN2C)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=NN=CN2C)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H17N7O3S/c1-3-27-15(26)11-8-19-16(21-13(11)9-29-18-24-20-10-25(18)2)23-17-22-12-6-4-5-7-14(12)28-17/h4-8,10H,3,9H2,1-2H3,(H,19,21,22,23)