6-azanyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O3S/c1-3-9-25-17(21)16(18(27)24-20(25)28)15(26)11-29-19-22-12(2)10-14(23-19)13-7-5-4-6-8-13/h4-8,10H,3,9,11,21H2,1-2H3,(H,24,27,28)