2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN5OS/c1-3-21-22(18-9-11-19(26)12-10-18)23(27)29-25(28-21)33-17(2)24(32)31-15-13-30(14-16-31)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H2,27,28,29)