1-butylsulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-butylsulfonyl-1,4-diazepane CAS Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-butylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-butylsulfonyl-1,4-diazepane Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

InChI

InChI=1S/C23H34N4O2S/c1-4-6-17-30(28,29)27-14-10-13-26(15-16-27)23-21(18-20-11-8-7-9-12-20)22(5-2)24-19(3)25-23/h7-9,11-12H,4-6,10,13-18H2,1-3H3