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

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane CAS Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-mesyl-1,4-diazepane Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C20H28N4O2S/c1-15(2)18-16(3)21-19(17-9-6-5-7-10-17)22-20(18)23-11-8-12-24(14-13-23)27(4,25)26/h5-7,9-10,15H,8,11-14H2,1-4H3