(4-azanylquinazolin-2-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C25H28N4O3S/c26-24-18-10-4-6-12-20(18)28-22(29-24)15-32-25(31)19-11-5-7-13-21(19)33-16-23(30)27-14-17-8-2-1-3-9-17/h4-7,10-13,17H,1-3,8-9,14-16H2,(H,27,30)(H2,26,28,29)