3-[5-(3-bromanylpropanoylamino)-6-methoxy-pyrimidin-4-yl]sulfanyl-N-(6-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: 3-[5-(3-bromanylpropanoylamino)-6-methoxy-pyrimidin-4-yl]sulfanyl-N-(6-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: 3-[5-(3-bromopropanoylamino)-6-methoxy-pyrimidin-4-yl]sulfanyl-N-(6-methoxy-4-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: 3-[[5-[(3-bromo-1-oxopropyl)amino]-6-methoxy-4-pyrimidinyl]thio]-N-(6-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: 3-[5-(3-bromopropanoylamino)-6-methoxypyrimidin-4-yl]sulfanyl-N-(6-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: 3-[[5-(3-bromopropanoylamino)-6-methoxy-pyrimidin-4-yl]thio]-N-(6-methoxy-4-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C16H19BrN6O4S2 MolecularWeight: 503.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=S)N=CN1)NC(=O)CCSC2=NC=NC(=C2NC(=O)CCBr)OC

Isomeric SMILES

COC1=C(C(=S)N=CN1)NC(=O)CCSC2=NC=NC(=C2NC(=O)CCBr)OC

InChI

InChI=1S/C16H19BrN6O4S2/c1-26-13-11(15(28)20-7-18-13)22-10(25)4-6-29-16-12(23-9(24)3-5-17)14(27-2)19-8-21-16/h7-8H,3-6H2,1-2H3,(H,22,25)(H,23,24)(H,18,20,28)