3-cyclopentyloxy-3-methoxy-8-(2-oxidanylpropan-2-yl)-4-(phenylmethyl)-1,2-dihydropurin-3-ium-6-one

Systemtic Name: 3-cyclopentyloxy-3-methoxy-8-(2-oxidanylpropan-2-yl)-4-(phenylmethyl)-1,2-dihydropurin-3-ium-6-one Openeye Name: 4-benzyl-3-(cyclopentoxy)-8-(1-hydroxy-1-methyl-ethyl)-3-methoxy-1,2-dihydropurin-3-ium-6-one CAS Name: 3-cyclopentyloxy-8-(2-hydroxypropan-2-yl)-3-methoxy-4-(phenylmethyl)-1,2-dihydropurin-3-ium-6-one IUPAC Name: 4-benzyl-3-cyclopentyloxy-8-(2-hydroxypropan-2-yl)-3-methoxy-1,2-dihydropurin-3-ium-6-one Traditional Name: 4-benzyl-3-(cyclopentoxy)-8-(1-hydroxy-1-methyl-ethyl)-3-methoxy-1,2-dihydropurin-3-ium-6-one Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2(C(=N1)C(=O)NC[N+]2(OC)OC3CCCC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C1=NC2(C(=N1)C(=O)NC[N+]2(OC)OC3CCCC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H28N4O4/c1-20(2,27)19-23-17-18(26)22-14-25(28-3,29-16-11-7-8-12-16)21(17,24-19)13-15-9-5-4-6-10-15/h4-6,9-10,16,27H,7-8,11-14H2,1-3H3/p+1