(5Z)-5-[(azepan-1-ylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(azepan-1-ylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(azepan-1-ylamino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(1-azepanylamino)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(azepan-1-ylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[(azepan-1-ylamino)methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C11H15N4O2S- MolecularWeight: 267.3274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=S)N=C2[O-]

Isomeric SMILES

C1CCCN(CC1)N/C=C/2\C(=O)NC(=S)N=C2[O-]

InChI

InChI=1S/C11H16N4O2S/c16-9-8(10(17)14-11(18)13-9)7-12-15-5-3-1-2-4-6-15/h7,12H,1-6H2,(H2,13,14,16,17,18)/p-1