N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-methyl-benzenesulfonamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC2=C(NC(=NC2=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC2=C(NC(=NC2=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-14-9-11-16(12-10-14)28(26,27)22-13-5-8-17-18(15-6-3-2-4-7-15)23-20(21)24-19(17)25/h2-4,6-7,9-12,22H,5,8,13H2,1H3,(H3,21,23,24,25)