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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-4-[[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN(C)C)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN(C)C)N3CCCC3

InChI

InChI=1S/C21H29N5OS/c1-16-14-19(26-11-4-5-12-26)24-21(23-16)28-15-17-6-8-18(9-7-17)20(27)22-10-13-25(2)3/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,22,27)