N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C16H19N5O3S MolecularWeight: 361.41876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N5O3S/c1-9(2)18-11(22)8-25-16-20-13(17)12(15(24)21-16)19-14(23)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,22)(H,19,23)(H3,17,20,21,24)