N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C18H18BrN5O3S MolecularWeight: 464.33622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C18H18BrN5O3S/c1-3-28-18-21-8-13-16(23-18)22-10-24(17(13)26)9-15(25)20-7-11-6-12(19)4-5-14(11)27-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,20,25)