6-azanyl-2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C17H15N5O2S3 MolecularWeight: 417.5283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CS4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CS4

InChI

InChI=1S/C17H15N5O2S3/c18-14-8-15(23)20-17(19-14)27-9-16(24)22-11(13-4-2-6-26-13)7-10(21-22)12-3-1-5-25-12/h1-6,8,11H,7,9H2,(H3,18,19,20,23)/t11-/m0/s1