3-methylbutyl (NE)-N-[azanyl-(pyrazin-2-ylamino)methylidene]carbamate

Systemtic Name: 3-methylbutyl (NE)-N-[azanyl-(pyrazin-2-ylamino)methylidene]carbamate Openeye Name: isopentyl (NE)-N-[amino-(pyrazin-2-ylamino)methylene]carbamate CAS Name: (NE)-N-[amino-(2-pyrazinylamino)methylidene]carbamic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (NE)-N-[amino-(pyrazin-2-ylamino)methylidene]carbamate Traditional Name: (NE)-N-[amino-(pyrazin-2-ylamino)methylene]carbamic acid isoamyl ester Formula: C11H17N5O2 MolecularWeight: 251.28498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)N=C(N)NC1=NC=CN=C1

Isomeric SMILES

CC(C)CCOC(=O)/N=C(\N)/NC1=NC=CN=C1

InChI

InChI=1S/C11H17N5O2/c1-8(2)3-6-18-11(17)16-10(12)15-9-7-13-4-5-14-9/h4-5,7-8H,3,6H2,1-2H3,(H3,12,14,15,16,17)