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

Systemtic Name: N-cyclopropyl-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCCC4

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCCC4

InChI

InChI=1S/C21H26N4O2S/c1-27-13-18-12-19(25-10-2-3-11-25)24-21(23-18)28-14-15-4-6-16(7-5-15)20(26)22-17-8-9-17/h4-7,12,17H,2-3,8-11,13-14H2,1H3,(H,22,26)