3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-6-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-6-oxo-2-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-6-oxo-2-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]pyrimidin-4-olate Formula: C21H26N3O3S- MolecularWeight: 400.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C21H27N3O3S/c1-15(11-12-16-7-3-2-4-8-16)22-19(26)14-28-21-23-18(25)13-20(27)24(21)17-9-5-6-10-17/h2-4,7-8,13,15,17,27H,5-6,9-12,14H2,1H3,(H,22,26)/p-1/t15-/m1/s1