N-(2-dimethylaminoethyl)-3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCOCC3

InChI

InChI=1S/C21H29N5O2S/c1-16-13-19(26-9-11-28-12-10-26)24-21(23-16)29-15-17-5-4-6-18(14-17)20(27)22-7-8-25(2)3/h4-6,13-14H,7-12,15H2,1-3H3,(H,22,27)