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

Systemtic Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-24-18-17(19(27)25(2)21(24)28)26(20(23-18)22-11-12-29-3)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,11-13H2,1-3H3,(H,22,23)