ethyl 2-[4-methyl-1,3-bis(oxidanylidene)-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-1,3-bis(oxidanylidene)-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: ethyl 2-(6-isopropyl-4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-2-yl)acetate CAS Name: 2-(4-methyl-1,3-dioxo-7-phenyl-6-propan-2-yl-2-purino[7,8-a]imidazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-1,3-dioxo-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazol-2-yl)acetate Traditional Name: 2-(6-isopropyl-1,3-diketo-4-methyl-7-phenyl-purin[7,8-a]imidazol-2-yl)acetic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H23N5O4/c1-5-30-16(27)12-25-19(28)17-18(23(4)21(25)29)22-20-24(17)11-15(26(20)13(2)3)14-9-7-6-8-10-14/h6-11,13H,5,12H2,1-4H3