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

Systemtic Name: 1-butylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-butylsulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-butylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-butylsulfonyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-butylsulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-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(=C2C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

InChI

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