6-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H26N4O3S/c1-4-5-6-9-12-25-19(27)16-10-7-8-11-17(16)22-20(25)29-14-15-13-18(26)24(3)21(28)23(15)2/h7-8,10-11,13H,4-6,9,12,14H2,1-3H3