7-azanyl-6-(1-oxidanylbutan-2-ylamino)-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-azanyl-6-(1-oxidanylbutan-2-ylamino)-4H-1,4-benzoxazin-3-one Openeye Name: 7-amino-6-[1-(hydroxymethyl)propylamino]-4H-1,4-benzoxazin-3-one CAS Name: 7-amino-6-(1-hydroxybutan-2-ylamino)-4H-1,4-benzoxazin-3-one IUPAC Name: 7-amino-6-(1-hydroxybutan-2-ylamino)-4H-1,4-benzoxazin-3-one Traditional Name: 7-amino-6-(1-methylolpropylamino)-4H-1,4-benzoxazin-3-one Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C2C(=C1)NC(=O)CO2)N

Isomeric SMILES

CCC(CO)NC1=C(C=C2C(=C1)NC(=O)CO2)N

InChI

InChI=1S/C12H17N3O3/c1-2-7(5-16)14-9-4-10-11(3-8(9)13)18-6-12(17)15-10/h3-4,7,14,16H,2,5-6,13H2,1H3,(H,15,17)