3,3-dimethyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butan-1-one Formula: C18H29N5O MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C18H29N5O/c1-18(2,3)13-17(24)23-10-8-22(9-11-23)16-12-15(19-14-20-16)21-6-4-5-7-21/h12,14H,4-11,13H2,1-3H3