1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[4-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanoyl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[4-[[5-(4-bromobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]butanoyl]-2-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C31H37BrN6O2S MolecularWeight: 637.63348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)CCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

InChI

InChI=1S/C31H37BrN6O2S/c1-21-19-36(15-16-37(21)27(40)18-31(2,3)4)26(39)10-7-17-41-30-33-29-28(34-35-30)24-8-5-6-9-25(24)38(29)20-22-11-13-23(32)14-12-22/h5-6,8-9,11-14,21H,7,10,15-20H2,1-4H3