3-azanyl-2-(3,5-dinitrophenyl)sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-(3,5-dinitrophenyl)sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-(3,5-dinitrophenyl)sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(3,5-dinitrophenyl)thio]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-(3,5-dinitrophenyl)sulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(3,5-dinitrophenyl)thio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H11N5O5S2 MolecularWeight: 441.44044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)N)SC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)N)SC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O5S2/c19-21-17(24)14-9-15(10-4-2-1-3-5-10)30-16(14)20-18(21)29-13-7-11(22(25)26)6-12(8-13)23(27)28/h1-9H,19H2