N-[5-(1-azanylethenylamino)-1-oxidanylidene-pentan-2-yl]-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide

Systemtic Name: N-[5-(1-azanylethenylamino)-1-oxidanylidene-pentan-2-yl]-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide Openeye Name: N-[4-(1-aminovinylamino)-1-formyl-butyl]-2-[5-(benzylsulfonylamino)-2-methyl-6-oxo-pyrimidin-1-yl]acetamide CAS Name: N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]-2-[2-methyl-6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: N-[5-(1-aminoethenylamino)-1-oxopentan-2-yl]-2-[5-(benzylsulfonylamino)-2-methyl-6-oxopyrimidin-1-yl]acetamide Traditional Name: N-[4-(1-aminovinylamino)-1-formyl-butyl]-2-[5-(benzylsulfonylamino)-6-keto-2-methyl-pyrimidin-1-yl]acetamide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=O)N1CC(=O)NC(CCCNC(=C)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=O)N1CC(=O)NC(CCCNC(=C)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N6O5S/c1-15(22)23-10-6-9-18(13-28)25-20(29)12-27-16(2)24-11-19(21(27)30)26-33(31,32)14-17-7-4-3-5-8-17/h3-5,7-8,11,13,18,23,26H,1,6,9-10,12,14,22H2,2H3,(H,25,29)