2-azanyl-8-bromanyl-9-[2-(4-chloranylphenoxy)propoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[2-(4-chloranylphenoxy)propoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[2-(4-chlorophenoxy)propoxymethyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[2-(4-chlorophenoxy)propoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[2-(4-chlorophenoxy)propoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[2-(4-chlorophenoxy)propoxymethyl]-3H-purin-6-one Formula: C15H15BrClN5O3 MolecularWeight: 428.6683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COCN1C2=C(C(=O)N=C(N2)N)N=C1Br)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(COCN1C2=C(C(=O)N=C(N2)N)N=C1Br)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15BrClN5O3/c1-8(25-10-4-2-9(17)3-5-10)6-24-7-22-12-11(19-14(22)16)13(23)21-15(18)20-12/h2-5,8H,6-7H2,1H3,(H3,18,20,21,23)