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

Systemtic Name: 1-methyl-3-(2-methylprop-2-enyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(2-methylallyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(2-methylprop-2-enyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(2-methylprop-2-enyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(2-methylallyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C25H25N5O3/c1-17(2)16-30-23(31)21-22(27(3)25(30)32)26-24-28(14-7-15-29(21)24)18-10-12-20(13-11-18)33-19-8-5-4-6-9-19/h4-6,8-13H,1,7,14-16H2,2-3H3