6-(3-methoxypropyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-methoxypropyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(3-methoxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxypropyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxypropyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(3-methoxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C)C

InChI

InChI=1S/C16H21N5O4/c1-10-8-20-12-13(17-15(20)19(10)6-5-7-25-4)18(3)16(24)21(14(12)23)9-11(2)22/h8H,5-7,9H2,1-4H3