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

Systemtic Name: 6-azanyl-3-methyl-1-(2-methylpropyl)-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 5-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-6-amino-1-isobutyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 5-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-6-amino-1-isobutyl-3-methyl-pyrimidine-2,4-quinone Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)N

InChI

InChI=1S/C22H26N6O3S/c1-5-11-27-19(15-9-7-6-8-10-15)24-25-21(27)32-13-16(29)17-18(23)28(12-14(2)3)22(31)26(4)20(17)30/h5-10,14H,1,11-13,23H2,2-4H3