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

Systemtic Name: 6-azanyl-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-1-methyl-pyrimidine-2,4-quinone Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)N

InChI

InChI=1S/C18H18N6O3S/c1-23-14(19)13(16(26)20-17(23)27)12(25)9-28-18-22-21-15(10-7-8-10)24(18)11-5-3-2-4-6-11/h2-6,10H,7-9,19H2,1H3,(H,20,26,27)