2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C18H22ClN5O4S2 MolecularWeight: 471.98138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H22ClN5O4S2/c19-13-6-5-12(30(27,28)24-7-3-1-2-4-8-24)9-14(13)21-17(26)11-29-18-22-15(20)10-16(25)23-18/h5-6,9-10H,1-4,7-8,11H2,(H,21,26)(H3,20,22,23,25)