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

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(2,5-dimethylbenzyl)-9-(3-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-16-9-10-18(3)19(11-16)15-31-24(32)22-23(28(4)26(31)33)27-25-29(13-17(2)14-30(22)25)20-7-6-8-21(12-20)34-5/h6-12,17H,13-15H2,1-5H3