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

Systemtic Name: 4-[[[6-oxidanylidene-5-(phenethylamino)-2-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Openeye Name: 4-[[[6-oxo-5-(phenethylamino)-2-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine CAS Name: 4-[[[6-oxo-5-(phenethylamino)-2-phenyl-1-pyrimidinyl]methylsulfonylamino]methyl]benzenecarboximidamide IUPAC Name: 4-[[[6-oxo-5-(phenethylamino)-2-phenylpyrimidin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Traditional Name: 4-[[[6-keto-5-(phenethylamino)-2-phenyl-pyrimidin-1-yl]methylsulfonylamino]methyl]benzamidine Formula: C27H28N6O3S MolecularWeight: 516.61462

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N6O3S/c28-25(29)22-13-11-21(12-14-22)17-32-37(35,36)19-33-26(23-9-5-2-6-10-23)31-18-24(27(33)34)30-16-15-20-7-3-1-4-8-20/h1-14,18,30,32H,15-17,19H2,(H3,28,29)