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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCN)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCN)CC3=CC=CC=C3Cl

InChI

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