4-[[[2,6-bis(oxidanylidene)-5-(phenethylamino)-3-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide

Systemtic Name: 4-[[[2,6-bis(oxidanylidene)-5-(phenethylamino)-3-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Openeye Name: 4-[[[2,6-dioxo-5-(phenethylamino)-3-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine CAS Name: 4-[[[2,6-dioxo-5-(phenethylamino)-3-phenyl-1-pyrimidinyl]methylsulfonylamino]methyl]benzenecarboximidamide IUPAC Name: 4-[[[2,6-dioxo-5-(phenethylamino)-3-phenylpyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Traditional Name: 4-[[[2,6-diketo-5-(phenethylamino)-3-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CN(C(=O)N(C2=O)CS(=O)(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CN(C(=O)N(C2=O)CS(=O)(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C27H28N6O4S/c28-25(29)22-13-11-21(12-14-22)17-31-38(36,37)19-33-26(34)24(30-16-15-20-7-3-1-4-8-20)18-32(27(33)35)23-9-5-2-6-10-23/h1-14,18,30-31H,15-17,19H2,(H3,28,29)