phosphoric acid; 7H-purin-6-amine; 1-pyridin-3-ylethanone

Systemtic Name: phosphoric acid; 7H-purin-6-amine; 1-pyridin-3-ylethanone Openeye Name: phosphoric acid; 7H-purin-6-amine; 1-(3-pyridyl)ethanone CAS Name: phosphoric acid; 7H-purin-6-amine; 1-(3-pyridinyl)ethanone IUPAC Name: phosphoric acid; 7H-purin-6-amine; 1-pyridin-3-ylethanone Traditional Name: 7H-adenine; phosphoric acid; 1-(3-pyridyl)ethanone Formula: C12H15N6O5P MolecularWeight: 354.258461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=CC=C1.C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O

Isomeric SMILES

CC(=O)C1=CN=CC=C1.C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O

InChI

InChI=1S/C7H7NO.C5H5N5.H3O4P/c1-6(9)7-3-2-4-8-5-7;6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2-5H,1H3;1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)