2-azanyl-9-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-3H-purin-6-one Traditional Name: 2-amino-9-(2-chloro-3,4,5-trimethoxy-benzyl)-3H-purin-6-one Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2NC(=NC3=O)N)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2NC(=NC3=O)N)Cl)OC)OC

InChI

InChI=1S/C15H16ClN5O4/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-21-6-18-10-13(21)19-15(17)20-14(10)22/h4,6H,5H2,1-3H3,(H3,17,19,20,22)