6-icosyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-icosyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-allyl-6-icosyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-eicosyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-icosyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-allyl-6-arachyl-2-thioxo-1H-pyrimidin-4-one Formula: C27H48N2OS MolecularWeight: 448.74782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=O)NC(=S)N1)CC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=O)NC(=S)N1)CC=C

InChI

InChI=1S/C27H48N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(22-4-2)26(30)29-27(31)28-25/h4H,2-3,5-23H2,1H3,(H2,28,29,30,31)