1-methyl-8-(3-methylbutyl)-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7H-purin-6-one

Systemtic Name: 1-methyl-8-(3-methylbutyl)-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7H-purin-6-one Openeye Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-isopentyl-1-methyl-7H-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(3-methylbutyl)-7H-purin-6-one IUPAC Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(3-methylbutyl)-7H-purin-6-one Traditional Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-8-isoamyl-1-methyl-7H-purin-6-one Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC2=C(N1)C(=O)N(C(=N2)NC3CCCC3O)C

Isomeric SMILES

CC(C)CCC1=NC2=C(N1)C(=O)N(C(=N2)N[C@@H]3CCC[C@H]3O)C

InChI

InChI=1S/C16H25N5O2/c1-9(2)7-8-12-18-13-14(19-12)20-16(21(3)15(13)23)17-10-5-4-6-11(10)22/h9-11,22H,4-8H2,1-3H3,(H,17,20)(H,18,19)/t10-,11-/m1/s1