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

Systemtic Name: 1-methyl-9-(phenylmethyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(phenylmethyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-27-22-21(23(31)30(25(27)32)16-8-14-19-10-4-2-5-11-19)29-17-9-15-28(24(29)26-22)18-20-12-6-3-7-13-20/h2-7,10-13H,8-9,14-18H2,1H3