2-(4-azanylbutylamino)-9-[[2,5-bis(chloranyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 2-(4-azanylbutylamino)-9-[[2,5-bis(chloranyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 2-(4-aminobutylamino)-9-[(2,5-dichlorophenyl)methyl]-7H-purin-8-one CAS Name: 2-(4-aminobutylamino)-9-[(2,5-dichlorophenyl)methyl]-7H-purin-8-one IUPAC Name: 2-(4-aminobutylamino)-9-[(2,5-dichlorophenyl)methyl]-7H-purin-8-one Traditional Name: 2-(4-aminobutylamino)-9-(2,5-dichlorobenzyl)-7H-purin-8-one Formula: C16H18Cl2N6O MolecularWeight: 381.25972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CN2C3=NC(=NC=C3NC2=O)NCCCCN)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)CN2C3=NC(=NC=C3NC2=O)NCCCCN)Cl

InChI

InChI=1S/C16H18Cl2N6O/c17-11-3-4-12(18)10(7-11)9-24-14-13(22-16(24)25)8-21-15(23-14)20-6-2-1-5-19/h3-4,7-8H,1-2,5-6,9,19H2,(H,22,25)(H,20,21,23)