2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C21H25N3O2S/c1-5-8-14-11-19(26)23-20(22-14)27-13-15(25)12-18-21(2,3)16-9-6-7-10-17(16)24(18)4/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,23,26)