1-(phenylmethyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(phenylmethyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C19H26N4O2S/c1-15-16(2)20-17(3)21-19(15)22-10-7-11-23(13-12-22)26(24,25)14-18-8-5-4-6-9-18/h4-6,8-9H,7,10-14H2,1-3H3