2-(3-azanylpropylamino)-9-[[2,6-bis(chloranyl)phenyl]methyl]-6-methyl-7H-purin-8-one

Systemtic Name: 2-(3-azanylpropylamino)-9-[[2,6-bis(chloranyl)phenyl]methyl]-6-methyl-7H-purin-8-one Openeye Name: 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-6-methyl-7H-purin-8-one CAS Name: 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-6-methyl-7H-purin-8-one IUPAC Name: 2-(3-aminopropylamino)-9-[(2,6-dichlorophenyl)methyl]-6-methyl-7H-purin-8-one Traditional Name: 2-(3-aminopropylamino)-9-(2,6-dichlorobenzyl)-6-methyl-7H-purin-8-one Formula: C16H18Cl2N6O MolecularWeight: 381.25972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NCCCN)N(C(=O)N2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C2C(=NC(=N1)NCCCN)N(C(=O)N2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C16H18Cl2N6O/c1-9-13-14(23-15(21-9)20-7-3-6-19)24(16(25)22-13)8-10-11(17)4-2-5-12(10)18/h2,4-5H,3,6-8,19H2,1H3,(H,22,25)(H,20,21,23)