2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid Openeye Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid Traditional Name: 2-amino-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; (2-cyanoethylamino)phosphonous acid Formula: C13H20N7O6P MolecularWeight: 401.314961

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O.C(CNP(O)O)C#N

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O.C(CNP(O)O)C#N

InChI

InChI=1S/C10H13N5O4.C3H7N2O2P/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;4-2-1-3-5-8(6)7/h3-6,16-17H,1-2H2,(H3,11,13,14,18);5-7H,1,3H2