1-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]butan-1-one Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H22ClN5O2/c1-2-3-16(25)23-8-10-24(11-9-23)17-15(12-21-18(20)22-17)26-14-6-4-13(19)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,20,21,22)