AC1NJCMD
6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one|6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one|6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one|9-cyclohexyl-5-(pyridin-3-ylmethyl)-4-sulfanylidene-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-en-2-one
| Molecular Formula | C18H23N5OS |
|---|---|
| Molecular Weight | 357.16232 g/mol |
| LogP | 2.86689 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.16232 |
| Monoisotopic Mass | 357.16232 |
| Heavy Atoms | 25 |
| Complexity | 854.00555 |
Chemical Identifiers
| CAS Number | 879461-63-9 |
|---|---|
| SMILES | C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4 |
Product Overview
AC1NJCMD (CAS 879461-63-9), with molecular formula C18H23N5OS and molecular weight 357.16232 g/mol. IUPAC: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
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