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

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H32N4O2S/c1-20(2)24-21(3)27-25(23-13-8-5-9-14-23)28-26(24)29-15-10-16-30(18-17-29)33(31,32)19-22-11-6-4-7-12-22/h4-9,11-14,20H,10,15-19H2,1-3H3