9-[(2-bromanyl-3,5-dimethoxy-4-prop-2-enoxy-phenyl)methyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[(2-bromanyl-3,5-dimethoxy-4-prop-2-enoxy-phenyl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(4-allyloxy-2-bromo-3,5-dimethoxy-phenyl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(2-bromo-3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2-bromo-3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]-6-chloropurin-2-amine Traditional Name: [9-(4-allyloxy-2-bromo-3,5-dimethoxy-benzyl)-6-chloro-purin-2-yl]amine Formula: C17H17BrClN5O3 MolecularWeight: 454.70558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)OCC=C

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)OCC=C

InChI

InChI=1S/C17H17BrClN5O3/c1-4-5-27-13-10(25-2)6-9(11(18)14(13)26-3)7-24-8-21-12-15(19)22-17(20)23-16(12)24/h4,6,8H,1,5,7H2,2-3H3,(H2,20,22,23)