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

Systemtic Name: 1,7-dimethyl-3-[(3-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1,7-dimethyl-3-(m-tolylmethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-3-[(3-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1,7-dimethyl-3-[(3-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1,7-dimethyl-3-(3-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(=C4)C)CCC5=CC=CC=C5

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC(=C4)C)CCC5=CC=CC=C5

InChI

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