3-[4-azanyl-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methyl-propanamide

Systemtic Name: 3-[4-azanyl-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methyl-propanamide Openeye Name: 3-[4-amino-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methyl-propanamide CAS Name: 3-[4-amino-5-(4-nitrophenyl)-6-thieno[2,3-d]pyrimidinyl]-N-methylpropanamide IUPAC Name: 3-[4-amino-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methylpropanamide Traditional Name: 3-[4-amino-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-6-yl]-N-methyl-propionamide Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CCC1=C(C2=C(N=CN=C2S1)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S/c1-18-12(22)7-6-11-13(9-2-4-10(5-3-9)21(23)24)14-15(17)19-8-20-16(14)25-11/h2-5,8H,6-7H2,1H3,(H,18,22)(H2,17,19,20)