AC1MUH8E
3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5731369:001|NCGC00280741-01|AB01281066-01|3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione|3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|3-methyl-7-(3-methylbenzyl)-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-3,7-dihydro-1H-purine-2,6-dione|3-METHYL-8-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-7-[(3-METHYLPHENYL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE|6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C17H17N7O2S |
|---|---|
| Molecular Weight | 383.11646 g/mol |
| LogP | 1.05972 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11646 |
| Monoisotopic Mass | 383.11646 |
| Heavy Atoms | 27 |
| Complexity | 1264.5022 |
Chemical Identifiers
| CAS Number | 674366-36-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NN=CN4C)N(C(=O)NC3=O)C |
Product Overview
AC1MUH8E (CAS 674366-36-0), with molecular formula C17H17N7O2S and molecular weight 383.11646 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
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