6-[4-[3-(2-azanyl-4-methylsulfanyl-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[3-(2-azanyl-4-methylsulfanyl-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-amino-4-methylsulfanyl-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-[2-amino-4-(methylthio)phenoxy]propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(2-amino-4-methylsulfanylphenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-[2-amino-4-(methylthio)phenoxy]propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H29N5O3S MolecularWeight: 419.54096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)SC)N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)SC)N

InChI

InChI=1S/C20H29N5O3S/c1-22-18(14-19(26)23(2)20(22)27)25-10-8-24(9-11-25)7-4-12-28-17-6-5-15(29-3)13-16(17)21/h5-6,13-14H,4,7-12,21H2,1-3H3