4-[[4-azanyl-3-methyl-5-nitroso-2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-3-methyl-5-nitroso-2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-3-methyl-5-nitroso-2,6-dioxo-hexahydropyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[(4-amino-3-methyl-5-nitroso-2,6-dioxo-1,3-diazinan-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-amino-3-methyl-5-nitroso-2,6-dioxo-1,3-diazinan-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-amino-2,6-diketo-3-methyl-5-nitroso-hexahydropyrimidin-1-yl)methyl]benzonitrile Formula: C13H13N5O3 MolecularWeight: 287.27402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N=O)N

Isomeric SMILES

CN1C(C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N=O)N

InChI

InChI=1S/C13H13N5O3/c1-17-11(15)10(16-21)12(19)18(13(17)20)7-9-4-2-8(6-14)3-5-9/h2-5,10-11H,7,15H2,1H3