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

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-mesyl-1,4-diazepane Formula: C20H28N4O2S MolecularWeight: 388.52692

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-15-6-8-18(9-7-15)14-19-16(2)21-17(3)22-20(19)23-10-5-11-24(13-12-23)27(4,25)26/h6-9H,5,10-14H2,1-4H3