4-[4-azanyl-7-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5,8-dihydropteridin-6-ylidene]cyclohexa-2,5-dien-1-one sulfate

Systemtic Name: 4-[4-azanyl-7-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5,8-dihydropteridin-6-ylidene]cyclohexa-2,5-dien-1-one sulfate Openeye Name: 4-[4-amino-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,8-dihydropteridin-6-ylidene]cyclohexa-2,5-dien-1-one sulfate CAS Name: 4-[4-amino-7-(4-oxo-1-cyclohexa-2,5-dienylidene)-5,8-dihydropteridin-6-ylidene]-1-cyclohexa-2,5-dienone sulfate IUPAC Name: 4-[4-amino-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,8-dihydropteridin-6-ylidene]cyclohexa-2,5-dien-1-one sulfate Traditional Name: 4-[4-amino-7-(4-ketocyclohexa-2,5-dien-1-ylidene)-5,8-dihydropteridin-6-ylidene]cyclohexa-2,5-dien-1-one sulfate Formula: C18H13N5O6S-2 MolecularWeight: 427.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C(=C3C=CC(=O)C=C3)NC4=C(N2)C(=NC=N4)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=O)C=CC1=C2C(=C3C=CC(=O)C=C3)NC4=C(N2)C(=NC=N4)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H13N5O2.H2O4S/c19-17-16-18(21-9-20-17)23-15(11-3-7-13(25)8-4-11)14(22-16)10-1-5-12(24)6-2-10;1-5(2,3)4/h1-9,22H,(H3,19,20,21,23);(H2,1,2,3,4)/p-2