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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-5-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-5-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-5-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C23H23N7O3S MolecularWeight: 477.53882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)N

InChI

InChI=1S/C23H23N7O3S/c1-3-13-29-19(24)18(21(32)28(2)23(29)33)17(31)14-34-22-27-26-20(15-9-11-25-12-10-15)30(22)16-7-5-4-6-8-16/h4-12H,3,13-14,24H2,1-2H3