N4-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2,3-dimethylphenyl)piperazino]pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)N)C

InChI

InChI=1S/C23H26N6O2/c1-15-4-3-5-18(16(15)2)28-8-10-29(11-9-28)23-21(24)22(25-13-26-23)27-17-6-7-19-20(12-17)31-14-30-19/h3-7,12-13H,8-11,14,24H2,1-2H3,(H,25,26,27)