7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-8-(hexylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C21H30ClN5O3 MolecularWeight: 435.9476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2C(N1CC3=C(C=CC(=C3)OC)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2C(N1CC3=C(C=CC(=C3)OC)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H30ClN5O3/c1-5-6-7-8-11-23-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)13-14-12-15(30-4)9-10-16(14)22/h9-10,12,17-18H,5-8,11,13H2,1-4H3,(H,23,24)