2-[(2S)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(1S)-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H19N4O2S2- MolecularWeight: 387.49906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CC[C@@H](C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C18H20N4O2S2/c1-3-13(26-18-20-10(2)8-15(23)21-18)16(24)22-17-12(9-19)11-6-4-5-7-14(11)25-17/h8,13H,3-7H2,1-2H3,(H,22,24)(H,20,21,23)/p-1/t13-/m0/s1