6-nitro-N4,N7-bis(phenylmethyl)quinazoline-4,7-diamine

Systemtic Name: 6-nitro-N4,N7-bis(phenylmethyl)quinazoline-4,7-diamine Openeye Name: N4,N7-dibenzyl-6-nitro-quinazoline-4,7-diamine CAS Name: 6-nitro-N4,N7-bis(phenylmethyl)quinazoline-4,7-diamine IUPAC Name: 4-N,7-N-dibenzyl-6-nitroquinazoline-4,7-diamine Traditional Name: benzyl-[4-(benzylamino)-6-nitro-quinazolin-7-yl]amine Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O2/c28-27(29)21-11-18-19(12-20(21)23-13-16-7-3-1-4-8-16)25-15-26-22(18)24-14-17-9-5-2-6-10-17/h1-12,15,23H,13-14H2,(H,24,25,26)