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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-benzyl-1-piperidyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-benzylpiperidin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperidino)pyrimidin-4-yl]-piperonyl-amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C24H27N5O2/c25-22-23(26-14-19-6-7-20-21(13-19)31-16-30-20)27-15-28-24(22)29-10-8-18(9-11-29)12-17-4-2-1-3-5-17/h1-7,13,15,18H,8-12,14,16,25H2,(H,26,27,28)