4-azanyl-2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[4-(4-chlorophenyl)-4-hydroxy-piperidino]pyrimidine-5-carbonitrile Formula: C16H16ClN5O MolecularWeight: 329.78414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H16ClN5O/c17-13-3-1-12(2-4-13)16(23)5-7-22(8-6-16)15-20-10-11(9-18)14(19)21-15/h1-4,10,23H,5-8H2,(H2,19,20,21)