2-[(3-chloranyl-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Openeye Name: 2-[(3-chloro-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one CAS Name: 2-[(3-chloro-4-methylphenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one IUPAC Name: 2-[(3-chloro-4-methylphenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Traditional Name: 2-[(3-chloro-4-methyl-benzyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCOC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCOC)Cl

InChI

InChI=1S/C18H22ClN5O2/c1-12-5-6-13(9-14(12)19)10-20-18-22-16-15(17(25)23-18)24(11-21-16)7-3-4-8-26-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,20,22,23,25)