5-[[7-(3-azanyl-3-oxidanylidene-propyl)-2-[2-[bis(azanyl)methylideneamino]phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyano-benzamide

Systemtic Name: 5-[[7-(3-azanyl-3-oxidanylidene-propyl)-2-[2-[bis(azanyl)methylideneamino]phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyano-benzamide Openeye Name: 5-[[7-(3-amino-3-oxo-propyl)-2-(2-guanidinophenoxy)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyano-benzamide CAS Name: 5-[[7-(3-amino-3-oxopropyl)-2-[2-(diaminomethylideneamino)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyanobenzamide IUPAC Name: 5-[[7-(3-amino-3-oxopropyl)-2-[2-(diaminomethylideneamino)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyanobenzamide Traditional Name: 5-[[7-(3-amino-3-keto-propyl)-2-(2-guanidinophenoxy)-6-keto-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-cyano-benzamide Formula: C24H21N9O6 MolecularWeight: 531.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=C(N)N)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C#N)C(=O)N)NC(=O)C(O3)CCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)N=C(N)N)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C#N)C(=O)N)NC(=O)C(O3)CCC(=O)N

InChI

InChI=1S/C24H21N9O6/c25-10-11-5-6-12(9-13(11)19(27)35)37-21-18-22(38-16(20(36)31-18)7-8-17(26)34)33-24(32-21)39-15-4-2-1-3-14(15)30-23(28)29/h1-6,9,16H,7-8H2,(H2,26,34)(H2,27,35)(H,31,36)(H4,28,29,30)