N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-2-13-10-14-18(29-13)20-11-23(19(14)26)21-17(25)12-5-6-15(16(9-12)24(27)28)22-7-3-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,25)