8-(2-dimethylaminoethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N6O2/c1-25(2)12-11-22-20-23-18-17(19(28)24-21(29)26(18)3)27(20)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,11-13H2,1-3H3,(H,22,23)(H,24,28,29)