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

Systemtic Name: 6-chloranyl-9-[[3,5-dimethyl-4-(3-methylbutoxy)pyridin-2-yl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[(4-isopentyloxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[[3,5-dimethyl-4-(3-methylbutoxy)-2-pyridinyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[3,5-dimethyl-4-(3-methylbutoxy)pyridin-2-yl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[(4-isoamoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-yl]amine Formula: C18H23ClN6O MolecularWeight: 374.86782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OCCC(C)C)C)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC1=CN=C(C(=C1OCCC(C)C)C)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C18H23ClN6O/c1-10(2)5-6-26-15-11(3)7-21-13(12(15)4)8-25-9-22-14-16(19)23-18(20)24-17(14)25/h7,9-10H,5-6,8H2,1-4H3,(H2,20,23,24)