1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-isopropylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-propan-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-isopropylsulfonyl-1,4-diazepane Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C(C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C(C)C)C)C

InChI

InChI=1S/C22H32N4O2S/c1-16(2)29(27,28)26-12-6-11-25(13-14-26)22-21(18(4)23-19(5)24-22)15-20-9-7-17(3)8-10-20/h7-10,16H,6,11-15H2,1-5H3