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

Systemtic Name: 6-azanyl-5-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)NC3=O)CCC)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)NC3=O)CCC)N

InChI

InChI=1S/C23H29N5O4S/c1-3-5-6-9-13-28-21(31)15-10-7-8-11-16(15)25-23(28)33-14-17(29)18-19(24)27(12-4-2)22(32)26-20(18)30/h7-8,10-11H,3-6,9,12-14,24H2,1-2H3,(H,26,30,32)