[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-indazole-3-carboxylate

Systemtic Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-indazole-3-carboxylate Openeye Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=NNC4=CC=CC=C43)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=NNC4=CC=CC=C43)C

InChI

InChI=1S/C21H22N4O3S/c1-4-11(2)9-14-12(3)29-20-17(14)19(26)22-16(23-20)10-28-21(27)18-13-7-5-6-8-15(13)24-25-18/h5-8,11H,4,9-10H2,1-3H3,(H,24,25)(H,22,23,26)/t11-/m0/s1