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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C)N

InChI

InChI=1S/C20H26N4O3S/c1-12(2)19(14-5-6-15-16(10-14)27-8-4-7-26-15)24-18(25)11-28-20-22-13(3)9-17(21)23-20/h5-6,9-10,12,19H,4,7-8,11H2,1-3H3,(H,24,25)(H2,21,22,23)/t19-/m0/s1