6-methyl-2-methylsulfanyl-5-[3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-3-oxidanylidene-propyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-3-oxidanylidene-propyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-methylsulfanyl-5-[3-[5-(2-methylthiazol-4-yl)indolin-1-yl]-3-oxo-propyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[3-[5-(2-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-methyl-2-methylsulfanyl-5-[3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrimidin-4-olate Traditional Name: 5-[3-keto-3-[5-(2-methylthiazol-4-yl)indolin-1-yl]propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C21H21N4O2S2- MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)C

InChI

InChI=1S/C21H22N4O2S2/c1-12-16(20(27)24-21(22-12)28-3)5-7-19(26)25-9-8-15-10-14(4-6-18(15)25)17-11-29-13(2)23-17/h4,6,10-11H,5,7-9H2,1-3H3,(H,22,24,27)/p-1