2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[3-(4-aminoanilino)-3-oxo-propyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[3-(4-aminoanilino)-3-oxopropyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[3-(4-aminoanilino)-3-oxopropyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[3-(4-aminoanilino)-3-keto-propyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)N)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-9-8-13(20)18-14(16-9)21-7-6-12(19)17-11-4-2-10(15)3-5-11/h2-5,8H,6-7,15H2,1H3,(H,17,19)(H,16,18,20)/p-1