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

Systemtic Name: 6-bromanyl-4-[3-(1,4-diazepan-1-yl)-4-methylsulfonyl-phenyl]quinazoline Openeye Name: 6-bromo-4-[3-(1,4-diazepan-1-yl)-4-methylsulfonyl-phenyl]quinazoline CAS Name: 6-bromo-4-[3-(1,4-diazepan-1-yl)-4-methylsulfonylphenyl]quinazoline IUPAC Name: 6-bromo-4-[3-(1,4-diazepan-1-yl)-4-methylsulfonylphenyl]quinazoline Traditional Name: 6-bromo-4-[3-(1,4-diazepan-1-yl)-4-mesyl-phenyl]quinazoline Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C2=NC=NC3=C2C=C(C=C3)Br)N4CCCNCC4

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C2=NC=NC3=C2C=C(C=C3)Br)N4CCCNCC4

InChI

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