4QI

(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one



Chemical Component Summary

Name(4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Identifiers(4~{R})-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloranyl-1~{H}-pyrazol-5-yl)-4,6,7,8-tetrahydro-1~{H}-quinazolin-5-one
FormulaC18 H15 Cl N6 O2
Molecular Weight382.804
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl
InChIInChI=1S/C18H15ClN6O2/c19-9-8-20-25-15(9)16-14-11(5-3-6-12(14)26)21-17(23-16)24-18-22-10-4-1-2-7-13(10)27-18/h1-2,4,7-8,16H,3,5-6H2,(H,20,25)(H2,21,22,23,24)/t16-/m1/s1
InChIKeyORBGGGFENULXFO-MRXNPFEDSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count46
Aromatic Bond Count15

Related Resource References

Resource NameReference
PubChem 156600308