6-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H26N6O3S/c1-20(2,3)13-6-8-15(9-7-13)29-11-16-22-23-18(26(16)21)30-12-14-10-17(27)25(5)19(28)24(14)4/h6-10H,11-12,21H2,1-5H3