AC1N67FJ

1-[1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide

Also Known As: UPCMLD0ENAT5835091:001|AB00675497-01|1-[1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide|F1614-0013|1-(1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide|1-(1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide|1-{1,3-dimethyl-7-[2-(4-methylpyrimidin-2-ylthio)ethyl]-2,6-dioxo-1,3,7-trihyd ropurin-8-yl}piperidine-4-carboxamide

Molecular Formula	C20H26N8O3S
Molecular Weight	458.18484 g/mol
LogP	0.02612
Topological Polar Surface Area	133.93 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	458.18484
Monoisotopic Mass	458.18484
Heavy Atoms	32
Complexity	1286.4625

Chemical Identifiers

CAS Number	673441-85-5
SMILES	CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)N(C3=O)C)C