[3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C)N(CC)CC

InChI

InChI=1S/C23H33N5OS/c1-5-20-16-21(27(6-2)7-3)25-23(24-20)30-17-18-9-8-10-19(15-18)22(29)28-13-11-26(4)12-14-28/h8-10,15-16H,5-7,11-14,17H2,1-4H3