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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(propylamino)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(propylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(propylamino)xanthine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H21N5O2/c1-3-11-21-19-22-17-16(18(26)23-20(27)24(17)2)25(19)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,3,11-12H2,1-2H3,(H,21,22)(H,23,26,27)