77C

2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile


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Chemical Component Summary

Name2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
Identifiers2,4-bis(azanyl)-6-[[(~{S})-(5-chloranyl-8-fluoranyl-4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)-cyclopropyl-methyl]amino]pyrimidine-5-carbonitrile
FormulaC22 H17 Cl F N9 O
Molecular Weight477.881
TypeNON-POLYMER
Isomeric SMILESc1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl
InChIInChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1
InChIKeyXDSXYMOZKDUASY-INIZCTEOSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count55
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL3928407
PubChem 86763204
ChEMBL CHEMBL3928407