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

Systemtic Name: 9-[(2-bromanyl-3,5-dimethoxy-4-propoxy-phenyl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(2-bromo-3,5-dimethoxy-4-propoxy-phenyl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(2-bromo-3,5-dimethoxy-4-propoxyphenyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2-bromo-3,5-dimethoxy-4-propoxyphenyl)methyl]-6-chloropurin-2-amine Traditional Name: [9-(2-bromo-3,5-dimethoxy-4-propoxy-benzyl)-6-chloro-purin-2-yl]amine Formula: C17H19BrClN5O3 MolecularWeight: 456.72146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

InChI

InChI=1S/C17H19BrClN5O3/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/h6,8H,4-5,7H2,1-3H3,(H2,20,22,23)