N-(1,3-benzodioxol-5-ylmethyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitroquinazolin-4-amine Traditional Name: [7-[(3R,5S)-3,5-dimethylpiperazino]-6-nitro-quinazolin-4-yl]-piperonyl-amine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-13-9-27(10-14(2)26-13)18-7-17-16(6-19(18)28(29)30)22(25-11-24-17)23-8-15-3-4-20-21(5-15)32-12-31-20/h3-7,11,13-14,26H,8-10,12H2,1-2H3,(H,23,24,25)/t13-,14+