N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-cyclohexyl-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: cyclohexyl-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c26-25(27)17-10-6-7-15(13-17)14-28-21-23-19-12-5-4-11-18(19)20(24-21)22-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,22,23,24)