2-[(2,3-dimethyl-5-oxidanylidene-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)sulfanyl]-3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,3-dimethyl-5-oxidanylidene-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)sulfanyl]-3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,3-dimethyl-5-oxo-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)sulfanyl]-3-isobutyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,3-dimethyl-5-oxo-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)thio]-3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,3-dimethyl-5-oxo-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)sulfanyl]-3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-isobutyl-2-[(5-keto-2,3-dimethyl-1-phenyl-4H-pyrrolo[3,2-c]pyrazol-6-yl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H29N5O2S2 MolecularWeight: 519.68146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=O)N2)SC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CC(C)C)N(N1C)C6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=C(C(=O)N2)SC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CC(C)C)N(N1C)C6=CC=CC=C6

InChI

InChI=1S/C27H29N5O2S2/c1-15(2)14-31-26(34)20-18-12-8-9-13-19(18)35-25(20)29-27(31)36-23-22-21(28-24(23)33)16(3)30(4)32(22)17-10-6-5-7-11-17/h5-7,10-11,15H,8-9,12-14H2,1-4H3,(H,28,33)