7-(4-azanylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-quinazolin-4-amine

Systemtic Name: 7-(4-azanylpiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-quinazolin-4-amine Openeye Name: 7-(4-amino-1-piperidyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-quinazolin-4-amine CAS Name: 7-(4-amino-1-piperidinyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-4-quinazolinamine IUPAC Name: 7-(4-aminopiperidin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-6-nitroquinazolin-4-amine Traditional Name: [7-(4-aminopiperidino)-6-nitro-quinazolin-4-yl]-piperonyl-amine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c22-14-3-5-26(6-4-14)17-9-16-15(8-18(17)27(28)29)21(25-11-24-16)23-10-13-1-2-19-20(7-13)31-12-30-19/h1-2,7-9,11,14H,3-6,10,12,22H2,(H,23,24,25)