1-(2-azanylpyrimidin-4-yl)-4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-3-oxidanyl-butan-1-one

Systemtic Name: 1-(2-azanylpyrimidin-4-yl)-4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-3-oxidanyl-butan-1-one Openeye Name: 1-(2-aminopyrimidin-4-yl)-4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-3-hydroxy-butan-1-one CAS Name: 1-(2-amino-4-pyrimidinyl)-4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-3-hydroxy-1-butanone IUPAC Name: 1-(2-aminopyrimidin-4-yl)-4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutan-1-one Traditional Name: 1-(2-aminopyrimidin-4-yl)-4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-3-hydroxy-butan-1-one Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CC(=O)C3=NC(=NC=C3)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CC(=O)C3=NC(=NC=C3)N)O

InChI

InChI=1S/C19H24ClN5O3/c1-28-18-3-2-13(20)10-16(18)25-8-6-24(7-9-25)12-14(26)11-17(27)15-4-5-22-19(21)23-15/h2-5,10,14,26H,6-9,11-12H2,1H3,(H2,21,22,23)