6-azanyl-9-[4-(oxan-3-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[4-(oxan-3-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Openeye Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-(4-tetrahydropyran-3-ylbutyl)-7H-purin-8-one CAS Name: 6-amino-9-[4-(3-oxanyl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one IUPAC Name: 6-amino-9-[4-(oxan-3-yl)butyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one Traditional Name: 6-amino-2-[(1S)-1-methylbutoxy]-9-(4-tetrahydropyran-3-ylbutyl)-7H-purin-8-one Formula: C19H31N5O3 MolecularWeight: 377.48114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCC3CCCOC3

Isomeric SMILES

CCC[C@H](C)OC1=NC2=C(C(=N1)N)NC(=O)N2CCCCC3CCCOC3

InChI

InChI=1S/C19H31N5O3/c1-3-7-13(2)27-18-22-16(20)15-17(23-18)24(19(25)21-15)10-5-4-8-14-9-6-11-26-12-14/h13-14H,3-12H2,1-2H3,(H,21,25)(H2,20,22,23)/t13-,14?/m0/s1