2-tert-butyl-9-(2-oxidanylnonan-3-yl)-3H-purin-6-one

Systemtic Name: 2-tert-butyl-9-(2-oxidanylnonan-3-yl)-3H-purin-6-one Openeye Name: 2-tert-butyl-9-[1-(1-hydroxyethyl)heptyl]-3H-purin-6-one CAS Name: 2-tert-butyl-9-(2-hydroxynonan-3-yl)-3H-purin-6-one IUPAC Name: 2-tert-butyl-9-(2-hydroxynonan-3-yl)-3H-purin-6-one Traditional Name: 2-tert-butyl-9-[1-(1-hydroxyethyl)heptyl]-3H-purin-6-one Formula: C18H30N4O2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=NC2=C1NC(=NC2=O)C(C)(C)C

Isomeric SMILES

CCCCCCC(C(C)O)N1C=NC2=C1NC(=NC2=O)C(C)(C)C

InChI

InChI=1S/C18H30N4O2/c1-6-7-8-9-10-13(12(2)23)22-11-19-14-15(22)20-17(18(3,4)5)21-16(14)24/h11-13,23H,6-10H2,1-5H3,(H,20,21,24)