3-azanyl-6-ethyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-6-ethyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-6-ethyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-6-ethyl-2-[3-[4-(2-nitrophenyl)-1-piperazinyl]propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-6-ethyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-6-ethyl-2-[3-[4-(2-nitrophenyl)piperazino]propylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H26N6O3S2 MolecularWeight: 474.59954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3S2/c1-2-15-14-16-19(32-15)23-21(26(22)20(16)28)31-13-5-8-24-9-11-25(12-10-24)17-6-3-4-7-18(17)27(29)30/h3-4,6-7,14H,2,5,8-13,22H2,1H3