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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-ethoxypropylamino)-3-methyl-xanthine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H22ClN5O3/c1-3-27-10-6-9-20-17-21-15-14(16(25)22-18(26)23(15)2)24(17)11-12-7-4-5-8-13(12)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,21)(H,22,25,26)