5-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C22H26N5O2S- MolecularWeight: 424.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N5O2S/c1-14-18(21(29)24-22(23-14)30-5)11-12-20(28)26(4)13-19-15(2)25-27(16(19)3)17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3,(H,23,24,29)/p-1