2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-phenethyl-7-[4-(phenethylamino)phenyl]purin[7,8-a]imidazole-1,3-quinone Formula: C31H30N6O2 MolecularWeight: 518.6089

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)NCCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)NCCC6=CC=CC=C6

InChI

InChI=1S/C31H30N6O2/c1-34-28-27(29(38)35(2)31(34)39)37-21-26(36(30(37)33-28)20-18-23-11-7-4-8-12-23)24-13-15-25(16-14-24)32-19-17-22-9-5-3-6-10-22/h3-16,21,32H,17-20H2,1-2H3