N-[(4-methylphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: 6-nitro-7-piperazin-1-yl-N-(p-tolylmethyl)quinazolin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[(4-methylphenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (4-methylbenzyl)-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C20H22N6O2/c1-14-2-4-15(5-3-14)12-22-20-16-10-19(26(27)28)18(11-17(16)23-13-24-20)25-8-6-21-7-9-25/h2-5,10-11,13,21H,6-9,12H2,1H3,(H,22,23,24)