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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])N5CCNCC5

InChI

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