8-(4-azanylbutylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-azanylbutylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(4-aminobutylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-aminobutylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(4-aminobutylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(4-aminobutylamino)-1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H23ClN6O2/c1-23-14-15(22-17(23)21-10-6-5-9-20)24(2)18(27)25(16(14)26)11-12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11,20H2,1-2H3,(H,21,22)