8-(3-azanylpropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C17H21ClN6O2/c1-22-13-14(21-16(22)20-9-5-8-19)23(2)17(26)24(15(13)25)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,8-10,19H2,1-2H3,(H,20,21)