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

Systemtic Name: 7-methylsulfonyl-6-nitro-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-7-methylsulfonyl-6-nitro-quinazolin-4-amine CAS Name: 7-methylsulfonyl-6-nitro-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-7-methylsulfonyl-6-nitroquinazolin-4-amine Traditional Name: benzyl-(7-mesyl-6-nitro-quinazolin-4-yl)amine Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-25(23,24)15-8-13-12(7-14(15)20(21)22)16(19-10-18-13)17-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)