2-azanyl-6-bromanyl-9-[(3,4,5-trimethoxypyridin-2-yl)methyl]-7H-purin-8-one

Systemtic Name: 2-azanyl-6-bromanyl-9-[(3,4,5-trimethoxypyridin-2-yl)methyl]-7H-purin-8-one Openeye Name: 2-amino-6-bromo-9-[(3,4,5-trimethoxy-2-pyridyl)methyl]-7H-purin-8-one CAS Name: 2-amino-6-bromo-9-[(3,4,5-trimethoxy-2-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 2-amino-6-bromo-9-[(3,4,5-trimethoxypyridin-2-yl)methyl]-7H-purin-8-one Traditional Name: 2-amino-6-bromo-9-[(3,4,5-trimethoxy-2-pyridyl)methyl]-7H-purin-8-one Formula: C14H15BrN6O4 MolecularWeight: 411.2107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(C(=C1OC)OC)CN2C3=C(C(=NC(=N3)N)Br)NC2=O

Isomeric SMILES

COC1=CN=C(C(=C1OC)OC)CN2C3=C(C(=NC(=N3)N)Br)NC2=O

InChI

InChI=1S/C14H15BrN6O4/c1-23-7-4-17-6(9(24-2)10(7)25-3)5-21-12-8(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20)