8-azanyl-7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione

Systemtic Name: 8-azanyl-7-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Openeye Name: 8-amino-7-[(3-bromo-4-methoxy-phenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 8-amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione IUPAC Name: 8-amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 8-amino-7-(3-bromo-4-methoxy-benzyl)-1-ethyl-3-(2-hydroxyethyl)xanthine Formula: C17H20BrN5O4 MolecularWeight: 438.2758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)N)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)N)N(C1=O)CCO

InChI

InChI=1S/C17H20BrN5O4/c1-3-21-15(25)13-14(22(6-7-24)17(21)26)20-16(19)23(13)9-10-4-5-12(27-2)11(18)8-10/h4-5,8,24H,3,6-7,9H2,1-2H3,(H2,19,20)