1-azanylhexyl phosphate; 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 1-azanylhexyl phosphate; 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; 1-aminohexyl phosphate CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; 1-aminohexyl phosphate IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-aminohexyl phosphate Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; 1-aminohexyl phosphate Formula: C16H27N6O9P-2 MolecularWeight: 478.394141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N)OP(=O)([O-])[O-].C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

CCCCCC(N)OP(=O)([O-])[O-].C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O5.C6H16NO4P/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;1-2-3-4-5-6(7)11-12(8,9)10/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);6H,2-5,7H2,1H3,(H2,8,9,10)/p-2