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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (6-nitro-7-piperazino-quinazolin-4-yl)-veratryl-amine Formula: C21H24N6O4 MolecularWeight: 424.45306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4/c1-30-19-4-3-14(9-20(19)31-2)12-23-21-15-10-18(27(28)29)17(11-16(15)24-13-25-21)26-7-5-22-6-8-26/h3-4,9-11,13,22H,5-8,12H2,1-2H3,(H,23,24,25)