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

Systemtic Name: 6-azanyl-1-methyl-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-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-methyl-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-1-methyl-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-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(N2CC=C)C3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)N

InChI

InChI=1S/C18H18N6O3S/c1-3-9-24-15(11-7-5-4-6-8-11)21-22-18(24)28-10-12(25)13-14(19)23(2)17(27)20-16(13)26/h3-8H,1,9-10,19H2,2H3,(H,20,26,27)