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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(1-hydroxyethyl)-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(1-hydroxyethyl)-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(1-hydroxyethyl)-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(1-hydroxyethyl)-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(1-hydroxyethyl)-7-methyl-3-propyl-xanthine Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)C(C)O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)C(C)O)C

InChI

InChI=1S/C18H21ClN4O3/c1-4-9-22-16-14(21(3)15(20-16)11(2)24)17(25)23(18(22)26)10-12-5-7-13(19)8-6-12/h5-8,11,24H,4,9-10H2,1-3H3