[1-(2-piperidin-1-ylethanoyl)pyrrolidin-2-yl]methyl 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: [1-(2-piperidin-1-ylethanoyl)pyrrolidin-2-yl]methyl 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: [1-[2-(1-piperidyl)acetyl]pyrrolidin-2-yl]methyl 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid [1-[1-oxo-2-(1-piperidinyl)ethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-(2-piperidin-1-ylacetyl)pyrrolidin-2-yl]methyl 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazine-1-carboxylic acid [1-(2-piperidinoacetyl)pyrrolidin-2-yl]methyl ester Formula: C29H46N8O3 MolecularWeight: 554.72734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6

Isomeric SMILES

C1CCN(CC1)CC(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6

InChI

InChI=1S/C29H46N8O3/c38-27(22-32-10-2-1-3-11-32)37-16-8-9-24(37)23-40-29(39)36-19-17-34(18-20-36)26-21-25(33-12-4-5-13-33)30-28(31-26)35-14-6-7-15-35/h21,24H,1-20,22-23H2