9-(5-ethyl-4-methyl-oxolan-2-yl)-2-(2-imidazol-1-ylethyl)-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine

Systemtic Name: 9-(5-ethyl-4-methyl-oxolan-2-yl)-2-(2-imidazol-1-ylethyl)-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine Openeye Name: 9-(5-ethyl-4-methyl-tetrahydrofuran-2-yl)-2-(2-imidazol-1-ylethyl)-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine CAS Name: 9-(5-ethyl-4-methyl-2-oxolanyl)-2-[2-(1-imidazolyl)ethyl]-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine IUPAC Name: 9-(5-ethyl-4-methyloxolan-2-yl)-2-(2-imidazol-1-ylethyl)-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine Traditional Name: 9-(5-ethyl-4-methyl-tetrahydrofuran-2-yl)-2-(2-imidazol-1-ylethyl)-6-[2-(4-nitrophenyl)ethoxy]-3,6-dihydropurine Formula: C25H31N7O4 MolecularWeight: 493.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(O1)N2C=NC3=C2NC(=NC3OCCC4=CC=C(C=C4)[N+](=O)[O-])CCN5C=CN=C5)C

Isomeric SMILES

CCC1C(CC(O1)N2C=NC3=C2NC(=NC3OCCC4=CC=C(C=C4)[N+](=O)[O-])CCN5C=CN=C5)C

InChI

InChI=1S/C25H31N7O4/c1-3-20-17(2)14-22(36-20)31-16-27-23-24(31)28-21(8-11-30-12-10-26-15-30)29-25(23)35-13-9-18-4-6-19(7-5-18)32(33)34/h4-7,10,12,15-17,20,22,25H,3,8-9,11,13-14H2,1-2H3,(H,28,29)