5-[(2-methoxyphenyl)-[(phenylmethyl)-propan-2-yl-amino]methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxyphenyl)-[(phenylmethyl)-propan-2-yl-amino]methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[[benzyl(isopropyl)amino]-(2-methoxyphenyl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(2-methoxyphenyl)-[(phenylmethyl)-propan-2-ylamino]methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[[benzyl(propan-2-yl)amino]-(2-methoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[[benzyl(isopropyl)amino]-(2-methoxyphenyl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(C2=CC=CC=C2OC)C3=C(NC(=S)NC3=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(C2=CC=CC=C2OC)C3=C(NC(=S)NC3=O)O

InChI

InChI=1S/C22H25N3O3S/c1-14(2)25(13-15-9-5-4-6-10-15)19(16-11-7-8-12-17(16)28-3)18-20(26)23-22(29)24-21(18)27/h4-12,14,19H,13H2,1-3H3,(H3,23,24,26,27,29)