2-methylnaphthalene-1,4-dione; 7H-purin-6-amine; sulfite

Systemtic Name: 2-methylnaphthalene-1,4-dione; 7H-purin-6-amine; sulfite Openeye Name: 2-methylnaphthalene-1,4-dione; 7H-purin-6-amine; sulfite CAS Name: 2-methylnaphthalene-1,4-dione; 7H-purin-6-amine; sulfite IUPAC Name: 2-methylnaphthalene-1,4-dione; 7H-purin-6-amine; sulfite Traditional Name: 7H-adenine; menadione; sulfite Formula: C16H13N5O5S-2 MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=NC2=C(N1)C(=NC=N2)N.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=NC2=C(N1)C(=NC=N2)N.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C5H5N5.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;6-4-3-5(9-1-7-3)10-2-8-4;1-4(2)3/h2-6H,1H3;1-2H,(H3,6,7,8,9,10);(H2,1,2,3)/p-2