N-(6-azanylhexyl)-5-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-(6-azanylhexyl)-5-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-(6-aminohexyl)-5-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-(6-aminohexyl)-5-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: N-(6-aminohexyl)-5-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]valeramide Formula: C25H30Cl2N4O2S MolecularWeight: 521.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H30Cl2N4O2S/c26-18-12-13-22(20(27)17-18)31-24(33)19-9-3-4-10-21(19)30-25(31)34-16-8-5-11-23(32)29-15-7-2-1-6-14-28/h3-4,9-10,12-13,17H,1-2,5-8,11,14-16,28H2,(H,29,32)