8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O4/c1-22-15-14(16(24)21-18(22)25)23(17(20-15)19-9-6-11-26-2)10-12-27-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,19,20)(H,21,24,25)