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

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16N6O3S2 MolecularWeight: 428.48804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(S2)C)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(S2)C)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H16N6O3S2/c1-3-26-15(25)11-8-19-16(20-13(11)9-28-18-24-23-10(2)29-18)22-17-21-12-6-4-5-7-14(12)27-17/h4-8H,3,9H2,1-2H3,(H,19,20,21,22)