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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: [7-(4-methylpiperazino)-6-nitro-quinazolin-4-yl]-piperonyl-amine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-25-4-6-26(7-5-25)17-10-16-15(9-18(17)27(28)29)21(24-12-23-16)22-11-14-2-3-19-20(8-14)31-13-30-19/h2-3,8-10,12H,4-7,11,13H2,1H3,(H,22,23,24)