2-[(4-nitrophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)quinazolin-4-amine CAS Name: 2-[(4-nitrophenyl)methylthio]-N-(2-oxolanylmethyl)-4-quinazolinamine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine Traditional Name: [2-[(4-nitrobenzyl)thio]quinazolin-4-yl]-(tetrahydrofurfuryl)amine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c25-24(26)15-9-7-14(8-10-15)13-28-20-22-18-6-2-1-5-17(18)19(23-20)21-12-16-4-3-11-27-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22,23)