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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC=NC2=N1)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C(C=C2C=CC=NC2=N1)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C19H20N6O2/c1-12-13(10-14-6-4-8-20-16(14)22-12)7-5-9-25-18(26)15-17(21-11-23(15)2)24(3)19(25)27/h4,6,8,10-11H,5,7,9H2,1-3H3