N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-phenyl-1-piperazinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-phenylpiperazino)pyrimidin-4-yl]-piperonyl-amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H24N6O2/c23-20-21(24-13-16-6-7-18-19(12-16)30-15-29-18)25-14-26-22(20)28-10-8-27(9-11-28)17-4-2-1-3-5-17/h1-7,12,14H,8-11,13,15,23H2,(H,24,25,26)