7-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H19BrN6O2S MolecularWeight: 487.37286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)NC1=S

InChI

InChI=1S/C20H19BrN6O2S/c1-2-5-27-18(29)15-4-3-13(10-16(15)24-20(27)30)17(28)25-6-8-26(9-7-25)19-22-11-14(21)12-23-19/h2-4,10-12H,1,5-9H2,(H,24,30)