N-[(3-methoxyphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[(3-methoxyphenyl)methyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: m-anisyl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C20H22N6O3/c1-29-15-4-2-3-14(9-15)12-22-20-16-10-19(26(27)28)18(11-17(16)23-13-24-20)25-7-5-21-6-8-25/h2-4,9-11,13,21H,5-8,12H2,1H3,(H,22,23,24)