2-butyl-4-methyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-butyl-4-methyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-isopropyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-isopropyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H25N5O2/c1-5-6-12-24-19(27)17-18(23(4)21(24)28)22-20-25(17)13-16(26(20)14(2)3)15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3