3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3=NC4=C(C=CC=N4)C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3=NC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C19H20N6O2/c1-23-12-21-17-15(23)18(26)25(19(27)24(17)2)11-4-3-7-14-9-8-13-6-5-10-20-16(13)22-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3