5-[(2-methylpyrimidin-5-yl)methyl]-2-sulfanylidene-1-undecyl-pyrimidin-4-one

Systemtic Name: 5-[(2-methylpyrimidin-5-yl)methyl]-2-sulfanylidene-1-undecyl-pyrimidin-4-one Openeye Name: 5-[(2-methylpyrimidin-5-yl)methyl]-2-thioxo-1-undecyl-pyrimidin-4-one CAS Name: 5-[(2-methyl-5-pyrimidinyl)methyl]-2-sulfanylidene-1-undecyl-4-pyrimidinone IUPAC Name: 5-[(2-methylpyrimidin-5-yl)methyl]-2-sulfanylidene-1-undecylpyrimidin-4-one Traditional Name: 5-[(2-methylpyrimidin-5-yl)methyl]-2-thioxo-1-undecyl-pyrimidin-4-one Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=C(N=C2)C

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=C(N=C2)C

InChI

InChI=1S/C21H32N4OS/c1-3-4-5-6-7-8-9-10-11-12-25-16-19(20(26)24-21(25)27)13-18-14-22-17(2)23-15-18/h14-16H,3-13H2,1-2H3,(H,24,26,27)