6-azanyl-5-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C22H27N5O4S/c1-4-5-6-9-12-27-19(29)14-10-7-8-11-15(14)24-21(27)32-13-16(28)17-18(23)25(2)22(31)26(3)20(17)30/h7-8,10-11H,4-6,9,12-13,23H2,1-3H3