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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-4-yl]-piperonyl-amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C23H26N6O3/c1-30-18-5-3-17(4-6-18)28-8-10-29(11-9-28)23-21(24)22(26-14-27-23)25-13-16-2-7-19-20(12-16)32-15-31-19/h2-7,12,14H,8-11,13,15,24H2,1H3,(H,25,26,27)