N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

InChI

InChI=1S/C21H22N6O5/c1-30-18-6-13(7-19-20(18)32-12-31-19)10-23-21-14-8-17(27(28)29)16(9-15(14)24-11-25-21)26-4-2-22-3-5-26/h6-9,11,22H,2-5,10,12H2,1H3,(H,23,24,25)