2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-isopentyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-isoamyl-thieno[3,2-d]pyrimidin-4-one Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3)N

InChI

InChI=1S/C17H21N5O2S2/c1-10(2)4-6-21-16(24)15-12(5-7-25-15)19-17(21)26-9-14(23)22-11(3)8-13(18)20-22/h5,7-8,10H,4,6,9H2,1-3H3,(H2,18,20)