6-(3-azanylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one

Systemtic Name: 6-(3-azanylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Openeye Name: 6-(3-aminopropyl)-5-tetradecyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(3-aminopropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one IUPAC Name: 6-(3-aminopropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Traditional Name: 6-(3-aminopropyl)-5-myristyl-2-thioxo-1H-pyrimidin-4-one Formula: C21H39N3OS MolecularWeight: 381.61886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCN

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCN

InChI

InChI=1S/C21H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(16-14-17-22)23-21(26)24-20(18)25/h2-17,22H2,1H3,(H2,23,24,25,26)