6-azanyl-2-butoxy-9-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-(diethoxyphosphorylmethyl)benzyl]-7H-purin-8-one Formula: C21H30N5O5P MolecularWeight: 463.467161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(OCC)OCC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(OCC)OCC

InChI

InChI=1S/C21H30N5O5P/c1-4-7-11-29-20-24-18(22)17-19(25-20)26(21(27)23-17)13-15-9-8-10-16(12-15)14-32(28,30-5-2)31-6-3/h8-10,12H,4-7,11,13-14H2,1-3H3,(H,23,27)(H2,22,24,25)