N-cyclopropyl-4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-ethyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H28N4OS/c1-4-12-25(3)19-13-17(5-2)23-21(24-19)27-14-15-6-8-16(9-7-15)20(26)22-18-10-11-18/h6-9,13,18H,4-5,10-12,14H2,1-3H3,(H,22,26)