3-azanyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-azanyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-amino-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-amino-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-amino-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-amino-2-[3-[4-(2-methoxyphenyl)piperazino]propylthio]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H28N6O2S MolecularWeight: 464.58312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCSC3=NC4=C(C(=O)N3N)NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCSC3=NC4=C(C(=O)N3N)NC5=CC=CC=C54

InChI

InChI=1S/C24H28N6O2S/c1-32-20-10-5-4-9-19(20)29-14-12-28(13-15-29)11-6-16-33-24-27-21-17-7-2-3-8-18(17)26-22(21)23(31)30(24)25/h2-5,7-10,26H,6,11-16,25H2,1H3