A1EUM

Summary

Name:	XS8148
Formula:	C23 H22 N8 O3
Formal charge:	0
Formula weight:	458.473 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H22N8O3/c1-29-3-4-33-5-6-34-22-17(16-11-26-30(2)13-16)9-20-24-12-19(31(20)28-22)14-7-15-10-25-27-21(15)18(8-14)23(29)32/h7-13H,3-6H2,1-2H3,(H,25,27)
InChIKey	InChI	1.06	FROBHGMBMTXNQV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCOCCOC2=Nn3c(C=C2c4cnn(C)c4)ncc3c5cc6cn[nH]c6c(c5)C1=O
SMILES	CACTVS	3.385	CN1CCOCCOC2=Nn3c(C=C2c4cnn(C)c4)ncc3c5cc6cn[nH]c6c(c5)C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2cc3ncc-4n3nc2OCCOCCN(C(=O)c5cc4cc6c5[nH]nc6)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2cc3ncc-4n3nc2OCCOCCN(C(=O)c5cc4cc6c5[nH]nc6)C