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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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