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

Systemtic Name: 1,7-dimethyl-3-[(2-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1,7-dimethyl-3-(o-tolylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-3-[(2-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1,7-dimethyl-3-[(2-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1,7-dimethyl-3-(2-methylbenzyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4C)CCC5=CC=CC=C5

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4C)CCC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-18-15-29(14-13-20-10-5-4-6-11-20)25-27-23-22(30(25)16-18)24(32)31(26(33)28(23)3)17-21-12-8-7-9-19(21)2/h4-12,18H,13-17H2,1-3H3