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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(1-oxidanylbutan-2-ylamino)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[1-(hydroxymethyl)propylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(1-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(1-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-methylolpropylamino)xanthine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3/c1-4-12(10-25)20-17-21-15-14(16(26)23(3)18(27)22(15)2)24(17)9-11-7-5-6-8-13(11)19/h5-8,12,25H,4,9-10H2,1-3H3,(H,20,21)