8-(3-azanylpropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN)CCCOC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O3/c1-23-15-14(16(25)22-18(23)26)24(17(21-15)20-10-5-9-19)11-6-12-27-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,19H2,1H3,(H,20,21)(H,22,25,26)