3-[5-[(5S)-7-azanyl-3-bromanyl-5-methyl-2-oxidanylidene-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]thiophen-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[(5S)-7-azanyl-3-bromanyl-5-methyl-2-oxidanylidene-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(5S)-7-amino-3-bromo-5-methyl-2-oxo-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(5S)-7-amino-3-bromo-5-methyl-2-oxo-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(5S)-7-amino-3-bromo-5-methyl-2-oxo-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(5S)-7-amino-3-bromo-2-keto-5-methyl-1,4-dihydropyrazolo[1,5-c]pyrimidin-5-yl]-3-thienyl]benzonitrile Formula: C18H14BrN5OS MolecularWeight: 428.30566

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)NN2C(=N1)N)Br)C3=CC(=CS3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C[C@]1(CC2=C(C(=O)NN2C(=N1)N)Br)C3=CC(=CS3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H14BrN5OS/c1-18(7-13-15(19)16(25)23-24(13)17(21)22-18)14-6-12(9-26-14)11-4-2-3-10(5-11)8-20/h2-6,9H,7H2,1H3,(H2,21,22)(H,23,25)/t18-/m0/s1