2-azanyl-3,7-bis[(3,4-dichlorophenyl)methyl]purin-6-one

Systemtic Name: 2-azanyl-3,7-bis[(3,4-dichlorophenyl)methyl]purin-6-one Openeye Name: 2-amino-3,7-bis[(3,4-dichlorophenyl)methyl]purin-6-one CAS Name: 2-amino-3,7-bis[(3,4-dichlorophenyl)methyl]-6-purinone IUPAC Name: 2-amino-3,7-bis[(3,4-dichlorophenyl)methyl]purin-6-one Traditional Name: 2-amino-3,7-bis(3,4-dichlorobenzyl)purin-6-one Formula: C19H13Cl4N5O MolecularWeight: 469.15142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC3=C2C(=O)N=C(N3CC4=CC(=C(C=C4)Cl)Cl)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC3=C2C(=O)N=C(N3CC4=CC(=C(C=C4)Cl)Cl)N)Cl)Cl

InChI

InChI=1S/C19H13Cl4N5O/c20-12-3-1-10(5-14(12)22)7-27-9-25-17-16(27)18(29)26-19(24)28(17)8-11-2-4-13(21)15(23)6-11/h1-6,9H,7-8H2,(H2,24,26,29)