6-nitro-N-(phenylmethyl)-7-(phenylsulfonyl)quinazolin-4-amine

Systemtic Name: 6-nitro-N-(phenylmethyl)-7-(phenylsulfonyl)quinazolin-4-amine Openeye Name: 7-(benzenesulfonyl)-N-benzyl-6-nitro-quinazolin-4-amine CAS Name: 7-(benzenesulfonyl)-6-nitro-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: 7-(benzenesulfonyl)-N-benzyl-6-nitroquinazolin-4-amine Traditional Name: benzyl-(7-besyl-6-nitro-quinazolin-4-yl)amine Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S/c26-25(27)19-11-17-18(12-20(19)30(28,29)16-9-5-2-6-10-16)23-14-24-21(17)22-13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23,24)