5-[[3-(2-acetamidoethyl)indol-2-ylidene]methyl]-3-[(2S)-butan-2-yl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[3-(2-acetamidoethyl)indol-2-ylidene]methyl]-3-[(2S)-butan-2-yl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[3-(2-acetamidoethyl)indol-2-ylidene]methyl]-3-[(1S)-1-methylpropyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[3-(2-acetamidoethyl)-2-indolylidene]methyl]-3-[(2S)-butan-2-yl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[3-(2-acetamidoethyl)indol-2-ylidene]methyl]-3-[(2S)-butan-2-yl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[3-(2-acetamidoethyl)indol-2-ylidene]methyl]-6-keto-3-[(1S)-1-methylpropyl]-2-thioxo-pyrimidin-4-olate Formula: C21H23N4O3S- MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C=C2C(=C3C=CC=CC3=N2)CCNC(=O)C)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=C(C(=O)NC1=S)C=C2C(=C3C=CC=CC3=N2)CCNC(=O)C)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-4-12(2)25-20(28)16(19(27)24-21(25)29)11-18-15(9-10-22-13(3)26)14-7-5-6-8-17(14)23-18/h5-8,11-12,28H,4,9-10H2,1-3H3,(H,22,26)(H,24,27,29)/p-1/t12-/m0/s1