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

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

Systemtic Name:2-piperidin-4-yl-3-[2-(pyrimidin-2-ylamino)ethyl]benzamide hydrate
Openeye Name:2-(4-piperidyl)-3-[2-(pyrimidin-2-ylamino)ethyl]benzamide hydrate
CAS Name:2-(4-piperidinyl)-3-[2-(2-pyrimidinylamino)ethyl]benzamide hydrate
IUPAC Name:2-piperidin-4-yl-3-[2-(pyrimidin-2-ylamino)ethyl]benzamide hydrate
Traditional Name:2-(4-piperidyl)-3-[2-(2-pyrimidylamino)ethyl]benzamide hydrate
Formula: C18H25N5O2
MolecularWeight: 343.4234
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=CC=C2CCNC3=NC=CC=N3)C(=O)N.O


Isomeric SMILES

C1CNCCC1C2=C(C=CC=C2CCNC3=NC=CC=N3)C(=O)N.O


InChI

InChI=1S/C18H23N5O.H2O/c19-17(24)15-4-1-3-13(16(15)14-5-10-20-11-6-14)7-12-23-18-21-8-2-9-22-18;/h1-4,8-9,14,20H,5-7,10-12H2,(H2,19,24)(H,21,22,23);1H2


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