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

Systemtic Name: 6-chloranyl-9-[(3,5-dimethyl-4-prop-2-enoxy-pyridin-2-yl)methyl]purin-2-amine Openeye Name: 9-[(4-allyloxy-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[(3,5-dimethyl-4-prop-2-enoxy-2-pyridinyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(3,5-dimethyl-4-prop-2-enoxypyridin-2-yl)methyl]purin-2-amine Traditional Name: [9-[(4-allyloxy-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-purin-2-yl]amine Formula: C16H17ClN6O MolecularWeight: 344.79878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O/c1-4-5-24-13-9(2)6-19-11(10(13)3)7-23-8-20-12-14(17)21-16(18)22-15(12)23/h4,6,8H,1,5,7H2,2-3H3,(H2,18,21,22)