4-methyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-isopropyl-4-methyl-2-[(1R)-1-methyl-2-oxo-propyl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-[(2R)-3-oxobutan-2-yl]-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-[(2R)-3-oxobutan-2-yl]-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-isopropyl-2-[(1R)-2-keto-1-methyl-propyl]-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C)N1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H23N5O3/c1-12(2)25-16(15-9-7-6-8-10-15)11-24-17-18(22-20(24)25)23(5)21(29)26(19(17)28)13(3)14(4)27/h6-13H,1-5H3/t13-/m1/s1