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

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-besyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-19(2)23-20(3)26-24(21-11-6-4-7-12-21)27-25(23)28-15-10-16-29(18-17-28)32(30,31)22-13-8-5-9-14-22/h4-9,11-14,19H,10,15-18H2,1-3H3