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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5OS/c1-4-17-18(15-6-8-16(22)9-7-15)19(23)25-21(24-17)29-14(3)20(28)27-12-10-26(5-2)11-13-27/h6-9,14H,4-5,10-13H2,1-3H3,(H2,23,24,25)