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

Systemtic Name: 1-methyl-3-(2-oxidanylidenepropyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-acetonyl-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-acetonyl-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O4/c1-16(30)15-29-22(31)20-21(26(2)24(29)32)25-23-27(13-6-14-28(20)23)17-9-11-19(12-10-17)33-18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3