8-(2-azanylethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H22N6O2/c1-24-17-16(18(27)25(2)20(24)28)26(19(23-17)22-11-10-21)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-12,21H2,1-2H3,(H,22,23)