4-[2,4-bis(azanyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl]benzenesulfonamide

Systemtic Name: 4-[2,4-bis(azanyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl]benzenesulfonamide Openeye Name: 4-(2,4-diamino-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide CAS Name: 4-(2,4-diamino-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide IUPAC Name: 4-(2,4-diamino-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Traditional Name: 4-(2,4-diamino-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Formula: C12H15N7O2S MolecularWeight: 321.3582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)N=C(N=C2N)N

Isomeric SMILES

C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)N=C(N=C2N)N

InChI

InChI=1S/C12H15N7O2S/c13-10-9-5-19(6-16-11(9)18-12(14)17-10)7-1-3-8(4-2-7)22(15,20)21/h1-4H,5-6H2,(H2,15,20,21)(H5,13,14,16,17,18)