6-azanyl-3-methyl-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O4S/c1-3-7-14-10-16(28)24-20(23-14)31-12-15(27)17-18(22)26(21(30)25(2)19(17)29)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11-12,22H2,1-2H3,(H,23,24,28)