6-chloranyl-9-[[3,5-dimethyl-4-(2-methylpropoxy)pyridin-2-yl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[3,5-dimethyl-4-(2-methylpropoxy)pyridin-2-yl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[(4-isobutoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[[3,5-dimethyl-4-(2-methylpropoxy)-2-pyridinyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[3,5-dimethyl-4-(2-methylpropoxy)pyridin-2-yl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[(4-isobutoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-yl]amine Formula: C17H21ClN6O MolecularWeight: 360.84124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OCC(C)C)C)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC1=CN=C(C(=C1OCC(C)C)C)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C17H21ClN6O/c1-9(2)7-25-14-10(3)5-20-12(11(14)4)6-24-8-21-13-15(18)22-17(19)23-16(13)24/h5,8-9H,6-7H2,1-4H3,(H2,19,22,23)