N-(cyclopropylmethyl)-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(cyclopropylmethyl)-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(cyclopropylmethyl)-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(cyclopropylmethyl)-3-[[[4-(methoxymethyl)-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=CC(=C3)C(=O)NCC4CC4

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=CC(=C3)C(=O)NCC4CC4

InChI

InChI=1S/C23H31N5O2S/c1-27-8-10-28(11-9-27)21-13-20(15-30-2)25-23(26-21)31-16-18-4-3-5-19(12-18)22(29)24-14-17-6-7-17/h3-5,12-13,17H,6-11,14-16H2,1-2H3,(H,24,29)