4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine hydrate

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine hydrate Openeye Name: 4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidyl)pentoxy]pyrimidine hydrate CAS Name: 4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidinyl)pentoxy]pyrimidine hydrate IUPAC Name: 4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine hydrate Traditional Name: 4-(4-fluorophenyl)-2-methyl-6-(5-piperidinopentoxy)pyrimidine hydrate Formula: C21H30FN3O2 MolecularWeight: 375.480203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F.O

Isomeric SMILES

CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F.O

InChI

InChI=1S/C21H28FN3O.H2O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25;/h8-11,16H,2-7,12-15H2,1H3;1H2