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

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane Openeye Name: 1-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-ethylsulfonyl-1,4-diazepane IUPAC Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane Traditional Name: 1-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-esyl-1,4-diazepane Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C21H30N4O2S/c1-5-28(26,27)25-12-6-11-24(13-14-25)21-20(17(3)22-18(4)23-21)15-19-9-7-16(2)8-10-19/h7-10H,5-6,11-15H2,1-4H3