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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-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)NCCCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-24-18-17(19(28)25(2)21(24)29)26(20(23-18)22-11-6-12-27)13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,27H,6,11-13H2,1-2H3,(H,22,23)