6-azanyl-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C17H16N6O3S MolecularWeight: 384.41234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=CN3C4=CC=CC=C4)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NN=CN3C4=CC=CC=C4)N

InChI

InChI=1S/C17H16N6O3S/c18-14-13(15(25)20-16(26)23(14)11-6-7-11)12(24)8-27-17-21-19-9-22(17)10-4-2-1-3-5-10/h1-5,9,11H,6-8,18H2,(H,20,25,26)