5-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H18N6O2S/c1-9-6-14(23)19-10-4-2-3-5-11(10)22(9)15(24)8-25-16-20-12(17)7-13(18)21-16/h2-5,7,9H,6,8H2,1H3,(H,19,23)(H4,17,18,20,21)