1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-19-24(18-21-8-5-4-6-9-21)25(27-20(2)26-19)28-14-7-15-29(17-16-28)33(30,31)23-12-10-22(32-3)11-13-23/h4-6,8-13H,7,14-18H2,1-3H3