1-ethylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-ethylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-ethylsulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-ethylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-ethylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-esyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-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(=C2C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-5-28(26,27)25-13-9-12-24(14-15-25)21-19(16(2)3)17(4)22-20(23-21)18-10-7-6-8-11-18/h6-8,10-11,16H,5,9,12-15H2,1-4H3