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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-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]-piperonyl-amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N)C

InChI

InChI=1S/C24H28N6O2/c1-16-4-3-5-19(17(16)2)29-8-10-30(11-9-29)24-22(25)23(27-14-28-24)26-13-18-6-7-20-21(12-18)32-15-31-20/h3-7,12,14H,8-11,13,15,25H2,1-2H3,(H,26,27,28)