N-(2-dimethylaminoethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)COC

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCCC3)COC

InChI

InChI=1S/C22H31N5O2S/c1-26(2)13-10-23-21(28)18-8-6-17(7-9-18)16-30-22-24-19(15-29-3)14-20(25-22)27-11-4-5-12-27/h6-9,14H,4-5,10-13,15-16H2,1-3H3,(H,23,28)