3-[(2,5-dimethylphenyl)methyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(2,5-dimethylphenyl)methyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(2,5-dimethylbenzyl)-1-methyl-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:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3CCCN4CCC5=CC=CC=C5)N(C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3CCCN4CCC5=CC=CC=C5)N(C2=O)C

InChI

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