AC1MKSMJ structure

AC1MKSMJ

9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Also Known As: BAS 12521692|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|SR-01000142624-1|F2013-0854|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1,3,5-trihydro-6H, 7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione

CAS: 876901-00-7
Molecular Formula C20H24ClN5O3
Molecular Weight 417.15677 g/mol
LogP 2.29272
Topological Polar Surface Area 74.29 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 417.15677
Monoisotopic Mass 417.15677
Heavy Atoms 29
Complexity 1209.5178

Chemical Identifiers

CAS Number 876901-00-7
SMILES CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCOC)C4=C(C(=CC=C4)Cl)C

Product Overview

AC1MKSMJ (CAS 876901-00-7), with molecular formula C20H24ClN5O3 and molecular weight 417.15677 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

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