6-bromanyl-4-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline

Systemtic Name: 6-bromanyl-4-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline Openeye Name: 6-bromo-4-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline CAS Name: 6-bromo-4-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline IUPAC Name: 6-bromo-4-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline Traditional Name: 6-bromo-4-[4-(4-mesylphenyl)-1,4-diazepan-1-yl]quinazoline Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-28(26,27)17-6-4-16(5-7-17)24-9-2-10-25(12-11-24)20-18-13-15(21)3-8-19(18)22-14-23-20/h3-8,13-14H,2,9-12H2,1H3