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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(propylamino)xanthine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18ClN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,19)(H,20,23,24)