2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C16H18N4O3S/c1-10-7-14(17)20-16(18-10)24-9-15(21)19-11-3-4-12-13(8-11)23-6-2-5-22-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21)(H2,17,18,20)