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

Systemtic Name: N-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C20H19ClN6O4 MolecularWeight: 442.85566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4Cl)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4Cl)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O4/c21-14-7-19-18(30-11-31-19)5-12(14)9-23-20-13-6-17(27(28)29)16(8-15(13)24-10-25-20)26-3-1-22-2-4-26/h5-8,10,22H,1-4,9,11H2,(H,23,24,25)