ethyl 4-oxidanylidene-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butanoate Openeye Name: ethyl 4-oxo-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butanoate Traditional Name: 4-keto-4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butyric acid ethyl ester Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C18H27N5O3/c1-2-26-18(25)6-5-17(24)23-11-9-22(10-12-23)16-13-15(19-14-20-16)21-7-3-4-8-21/h13-14H,2-12H2,1H3