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

Systemtic Name: methyl 2-[4-methyl-1,3-bis(oxidanylidene)-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4/c1-12(2)25-14(13-8-6-5-7-9-13)10-23-16-17(21-19(23)25)22(3)20(28)24(18(16)27)11-15(26)29-4/h5-10,12H,11H2,1-4H3