4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H17N5O3/c1-13-12-25-17-18(24(2)21(28)23-19(17)27)22-20(25)26(13)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27,28)