3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-6-(4-nitrophenyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-6-(4-nitrophenyl)thieno[3,2-d]pyrimidin-4-one Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])OCCN5CCCC5

InChI

InChI=1S/C25H24N4O5S/c1-33-22-14-19(8-9-21(22)34-13-12-27-10-2-3-11-27)28-16-26-20-15-23(35-24(20)25(28)30)17-4-6-18(7-5-17)29(31)32/h4-9,14-16H,2-3,10-13H2,1H3