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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-24-17-16(18(27)23-20(24)28)25(19(22-17)21-10-5-11-26)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,26H,5,10-12H2,1H3,(H,21,22)(H,23,27,28)