6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O4S/c1-4-11(2)9-13-12(3)27-19-17(13)18(23)20-16(21-19)10-26-15-8-6-5-7-14(15)22(24)25/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23)/t11-/m0/s1