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

Systemtic Name: 8-(butan-2-ylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(sec-butylamino)xanthine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22ClN5O2/c1-5-11(2)20-17-21-15-14(16(25)23(4)18(26)22(15)3)24(17)10-12-8-6-7-9-13(12)19/h6-9,11H,5,10H2,1-4H3,(H,20,21)