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

Systemtic Name: 1-methyl-3-(3-oxidanylpropyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-(3-hydroxypropyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-(3-hydroxypropyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-(3-hydroxypropyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(3-hydroxypropyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O4/c1-26-21-20(22(31)29(24(26)32)15-6-16-30)28-14-5-13-27(23(28)25-21)17-9-11-19(12-10-17)33-18-7-3-2-4-8-18/h2-4,7-12,30H,5-6,13-16H2,1H3