N-cyclopropyl-3-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-(methoxymethyl)-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-(methoxymethyl)-6-morpholin-4-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-(methoxymethyl)-6-morpholino-pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCOCC4

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCOCC4

InChI

InChI=1S/C21H26N4O3S/c1-27-13-18-12-19(25-7-9-28-10-8-25)24-21(23-18)29-14-15-3-2-4-16(11-15)20(26)22-17-5-6-17/h2-4,11-12,17H,5-10,13-14H2,1H3,(H,22,26)