N-(3-bromophenyl)-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-(3-bromophenyl)-2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-(3-bromophenyl)-2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(3-bromophenyl)-2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C16H14BrN5O2S MolecularWeight: 420.28366

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN5O2S/c1-2-25-16-18-7-12-14(21-16)19-9-22(15(12)24)8-13(23)20-11-5-3-4-10(17)6-11/h3-7,9H,2,8H2,1H3,(H,20,23)