methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NN=C(S4)N

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NN=C(S4)N

InChI

InChI=1S/C18H19N5O3S2/c1-26-15(24)13-12(9-27-18-22-21-16(19)28-18)23(11-7-8-11)17(25)20-14(13)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H2,19,21)(H,20,25)