1-[2-(4-chlorophenyl)sulfanyl-3-methyl-4-oxidanylidene-quinazolin-7-yl]-3-[3-(dimethylamino)propyl]urea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanyl-3-methyl-4-oxidanylidene-quinazolin-7-yl]-3-[3-(dimethylamino)propyl]urea Openeye Name: 1-[2-(4-chlorophenyl)sulfanyl-3-methyl-4-oxo-quinazolin-7-yl]-3-[3-(dimethylamino)propyl]urea CAS Name: 1-[2-[(4-chlorophenyl)thio]-3-methyl-4-oxo-7-quinazolinyl]-3-[3-(dimethylamino)propyl]urea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanyl-3-methyl-4-oxoquinazolin-7-yl]-3-[3-(dimethylamino)propyl]urea Traditional Name: 1-[2-[(4-chlorophenyl)thio]-4-keto-3-methyl-quinazolin-7-yl]-3-[3-(dimethylamino)propyl]urea Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)NC(=O)NCCCN(C)C)N=C1SC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)NC(=O)NCCCN(C)C)N=C1SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN5O2S/c1-26(2)12-4-11-23-20(29)24-15-7-10-17-18(13-15)25-21(27(3)19(17)28)30-16-8-5-14(22)6-9-16/h5-10,13H,4,11-12H2,1-3H3,(H2,23,24,29)