6-(3-methoxyphenyl)-4-methyl-2-(3-oxidanylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-methoxyphenyl)-4-methyl-2-(3-oxidanylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCN(C3=N2)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCN(C3=N2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C18H21N5O4/c1-20-15-14(16(25)23(18(20)26)7-4-10-24)22-9-8-21(17(22)19-15)12-5-3-6-13(11-12)27-2/h3,5-6,11,24H,4,7-10H2,1-2H3