6-bromanyl-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline

Systemtic Name: 6-bromanyl-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline Openeye Name: 6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline CAS Name: 6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline IUPAC Name: 6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline Traditional Name: 6-bromo-4-[4-(3-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=CC(=C1)N2CCCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O2S/c1-28(26,27)17-5-2-4-16(13-17)24-8-3-9-25(11-10-24)20-18-12-15(21)6-7-19(18)22-14-23-20/h2,4-7,12-14H,3,8-11H2,1H3