3-[4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)hexanal

Systemtic Name: 3-[4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)hexanal Openeye Name: 3-[4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)hexanal CAS Name: 3-[4-[2,5-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-(4-methoxyphenyl)hexanal IUPAC Name: 3-[4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)hexanal Traditional Name: 3-[4-(2,5-dipyrrolidinopyrimidin-4-yl)piperazino]-2-(4-methoxyphenyl)hexanal Formula: C29H42N6O2 MolecularWeight: 506.68278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C=O)C1=CC=C(C=C1)OC)N2CCN(CC2)C3=NC(=NC=C3N4CCCC4)N5CCCC5

Isomeric SMILES

CCCC(C(C=O)C1=CC=C(C=C1)OC)N2CCN(CC2)C3=NC(=NC=C3N4CCCC4)N5CCCC5

InChI

InChI=1S/C29H42N6O2/c1-3-8-26(25(22-36)23-9-11-24(37-2)12-10-23)33-17-19-34(20-18-33)28-27(32-13-4-5-14-32)21-30-29(31-28)35-15-6-7-16-35/h9-12,21-22,25-26H,3-8,13-20H2,1-2H3