8-bromanyl-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-bromanyl-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-bromo-4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-bromo-4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-bromo-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-bromo-4-[4-(5-chloro-2-methyl-phenyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C21H19BrClN5 MolecularWeight: 456.76606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)Br

InChI

InChI=1S/C21H19BrClN5/c1-13-2-4-15(23)11-18(13)27-6-8-28(9-7-27)21-20-19(24-12-25-21)16-10-14(22)3-5-17(16)26-20/h2-5,10-12,26H,6-9H2,1H3