ethyl 4-azanyl-2-[[5-[(phenylmethyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[5-[(phenylmethyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[5-(benzylcarbamoyl)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[5-[oxo-[(phenylmethyl)amino]methyl]-1,3,4-thiadiazol-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[5-(benzylcarbamoyl)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[5-(benzylcarbamoyl)-1,3,4-thiadiazol-2-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O3S2/c1-2-27-17(26)12-9-21-18(22-14(12)19)28-10-13-23-24-16(29-13)15(25)20-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,20,25)(H2,19,21,22)