4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxidanylidene-pyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide

Systemtic Name: 4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxidanylidene-pyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Openeye Name: 4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxo-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine CAS Name: 4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxo-1-pyrimidinyl]methylsulfonylamino]methyl]benzenecarboximidamide IUPAC Name: 4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxopyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Traditional Name: 4-[[[2-(3-aminophenyl)-5-(cyclobutylamino)-6-keto-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine Formula: C23H27N7O3S MolecularWeight: 481.57058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=CN=C(N(C2=O)CS(=O)(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

Isomeric SMILES

C1CC(C1)NC2=CN=C(N(C2=O)CS(=O)(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

InChI

InChI=1S/C23H27N7O3S/c24-18-4-1-3-17(11-18)22-27-13-20(29-19-5-2-6-19)23(31)30(22)14-34(32,33)28-12-15-7-9-16(10-8-15)21(25)26/h1,3-4,7-11,13,19,28-29H,2,5-6,12,14,24H2,(H3,25,26)