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

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[1-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C20H22N6O3S/c1-11(2)17-22-19(24-26(17)13-6-4-3-5-7-13)30-10-14(27)15-16(21)25(12-8-9-12)20(29)23-18(15)28/h3-7,11-12H,8-10,21H2,1-2H3,(H,23,28,29)