2-[3-[(3-azanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[3-[(3-azanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[3-(3-amino-2-methyl-anilino)-3-oxo-propyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[3-(3-amino-2-methylanilino)-3-oxopropyl]thio]-4-pyrimidinolate IUPAC Name: 2-[3-(3-amino-2-methylanilino)-3-oxopropyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[3-(3-amino-2-methyl-anilino)-3-keto-propyl]thio]pyrimidin-4-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCSC2=NC=CC(=N2)[O-])N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCSC2=NC=CC(=N2)[O-])N

InChI

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