2-[4-[(3-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[4-[(3-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[4-(3-aminoanilino)-4-oxo-butyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[4-(3-aminoanilino)-4-oxobutyl]thio]-4-pyrimidinolate IUPAC Name: 2-[4-(3-aminoanilino)-4-oxobutyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[4-(3-aminoanilino)-4-keto-butyl]thio]pyrimidin-4-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCSC2=NC=CC(=N2)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCSC2=NC=CC(=N2)[O-])N

InChI

InChI=1S/C14H16N4O2S/c15-10-3-1-4-11(9-10)17-12(19)5-2-8-21-14-16-7-6-13(20)18-14/h1,3-4,6-7,9H,2,5,8,15H2,(H,17,19)(H,16,18,20)/p-1