4,6-bis(azanyl)-5-[1,2-bis(phenylsulfonyl)ethyl]-5H-pyrimidin-2-one

Systemtic Name: 4,6-bis(azanyl)-5-[1,2-bis(phenylsulfonyl)ethyl]-5H-pyrimidin-2-one Openeye Name: 4,6-diamino-5-[1,2-bis(benzenesulfonyl)ethyl]-5H-pyrimidin-2-one CAS Name: 4,6-diamino-5-[1,2-bis(benzenesulfonyl)ethyl]-5H-pyrimidin-2-one IUPAC Name: 4,6-diamino-5-[1,2-bis(benzenesulfonyl)ethyl]-5H-pyrimidin-2-one Traditional Name: 4,6-diamino-5-(1,2-dibesylethyl)-5H-pyrimidin-2-one Formula: C18H18N4O5S2 MolecularWeight: 434.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NC(=O)N=C2N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NC(=O)N=C2N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O5S2/c19-16-15(17(20)22-18(23)21-16)14(29(26,27)13-9-5-2-6-10-13)11-28(24,25)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H4,19,20,21,22,23)