8-(3-ethoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-ethoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-ethoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-ethoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-ethoxypropylamino)-3-methyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O3/c1-3-26-11-7-10-19-17-20-15-14(16(24)21-18(25)22(15)2)23(17)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,19,20)(H,21,24,25)