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

Systemtic Name: 2-heptyl-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-heptyl-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-heptyl-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-heptyl-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-heptyl-6-(3-methoxyphenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC(=CC=C4)OC)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC(=CC=C4)OC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-4-5-6-7-8-12-27-20(28)18-19(24(2)22(27)29)23-21-25(13-14-26(18)21)16-10-9-11-17(15-16)30-3/h9-11,15H,4-8,12-14H2,1-3H3