1-methyl-3-(naphthalen-1-ylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(naphthalen-1-ylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(1-naphthylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(1-naphthalenylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(naphthalen-1-ylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(1-naphthylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC4=CC=CC=C43)N5CCCN(C5=N2)CCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC4=CC=CC=C43)N5CCCN(C5=N2)CCC6=CC=CC=C6

InChI

InChI=1S/C28H27N5O2/c1-30-25-24(32-17-8-16-31(27(32)29-25)18-15-20-9-3-2-4-10-20)26(34)33(28(30)35)19-22-13-7-12-21-11-5-6-14-23(21)22/h2-7,9-14H,8,15-19H2,1H3