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

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]pyrimidine-2,4-quinone Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O3S/c1-10(13(24)12-14(18)21(2)17(26)22(3)15(12)25)27-16-20-19-9-23(16)11-7-5-4-6-8-11/h4-10H,18H2,1-3H3