N-cyclopropyl-4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N(CC)CC

InChI

InChI=1S/C21H28N4OS/c1-4-17-13-19(25(5-2)6-3)24-21(23-17)27-14-15-7-9-16(10-8-15)20(26)22-18-11-12-18/h7-10,13,18H,4-6,11-12,14H2,1-3H3,(H,22,26)