4-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 4-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H18N6O2S MolecularWeight: 382.43952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H18N6O2S/c1-11-7-15(25)22-13-5-3-4-6-14(13)24(11)16(26)9-27-18-12-8-21-23(2)17(12)19-10-20-18/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)