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

Systemtic Name: 4-methyl-2-(3-oxidanylpropyl)-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-6-isopropyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-6-isopropyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-13(2)25-15(14-8-5-4-6-9-14)12-24-16-17(21-19(24)25)22(3)20(28)23(18(16)27)10-7-11-26/h4-6,8-9,12-13,26H,7,10-11H2,1-3H3