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

Systemtic Name: 1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C21H19N5O3/c1-24-18-17(19(27)23-21(24)28)26-13-5-12-25(20(26)22-18)14-8-10-16(11-9-14)29-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,23,27,28)