N-(1,3-benzodioxol-5-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5)C6=NC=CC=N6

InChI

InChI=1S/C24H23N7O2/c1-2-5-19-18(4-1)23(27-17-6-7-20-21(14-17)33-16-32-20)29-22(28-19)15-30-10-12-31(13-11-30)24-25-8-3-9-26-24/h1-9,14H,10-13,15-16H2,(H,27,28,29)