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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C18H20N6O3S/c1-3-9-24-14(19)13(16(26)23(2)18(24)27)12(25)10-28-17-20-15(21-22-17)11-7-5-4-6-8-11/h4-8H,3,9-10,19H2,1-2H3,(H,20,21,22)