AC1M03II structure

AC1M03II

N-(3-methylbutyl)-14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

Also Known As: N-(3-methylbutyl)-9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine|N-isopentyl-4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine

CAS: 845804-71-9
Molecular Formula C21H28N4S2
Molecular Weight 400.17554 g/mol
LogP 6.0315
Topological Polar Surface Area 50.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 400.17554
Monoisotopic Mass 400.17554
Heavy Atoms 27
Complexity 991.15985

Chemical Identifiers

CAS Number 845804-71-9
SMILES CC(C)CCNC1=NC(=NC2=C1SC3=C2C4=C(CCC4)C(=N3)C(C)C)SC

Product Overview

AC1M03II (CAS 845804-71-9), with molecular formula C21H28N4S2 and molecular weight 400.17554 g/mol. IUPAC: N-(3-methylbutyl)-14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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