9-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-6-methyl-purin-2-amine

Systemtic Name: 9-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-6-methyl-purin-2-amine Openeye Name: 9-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-6-methyl-purin-2-amine CAS Name: 9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-6-methyl-2-purinamine IUPAC Name: 9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-6-methylpurin-2-amine Traditional Name: [9-(2-chloro-3,4,5-trimethoxy-benzyl)-6-methyl-purin-2-yl]amine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)N)N(C=N2)CC3=CC(=C(C(=C3Cl)OC)OC)OC

Isomeric SMILES

CC1=C2C(=NC(=N1)N)N(C=N2)CC3=CC(=C(C(=C3Cl)OC)OC)OC

InChI

InChI=1S/C16H18ClN5O3/c1-8-12-15(21-16(18)20-8)22(7-19-12)6-9-5-10(23-2)13(24-3)14(25-4)11(9)17/h5,7H,6H2,1-4H3,(H2,18,20,21)