N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate

Systemtic Name: N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate Openeye Name: N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]-4-piperidyl]benzamide hydrate CAS Name: N-[3-methoxy-1-[2-(2-pyrimidinylamino)ethyl]-4-piperidinyl]benzamide hydrate IUPAC Name: N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate Traditional Name: N-[3-methoxy-1-[2-(2-pyrimidylamino)ethyl]-4-piperidyl]benzamide hydrate Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCNC3=NC=CC=N3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCNC3=NC=CC=N3.O

InChI

InChI=1S/C19H25N5O2.H2O/c1-26-17-14-24(13-11-22-19-20-9-5-10-21-19)12-8-16(17)23-18(25)15-6-3-2-4-7-15;/h2-7,9-10,16-17H,8,11-14H2,1H3,(H,23,25)(H,20,21,22);1H2