2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[3-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S2/c19-15-11-16(24)22-18(21-15)28-12-17(25)20-13-6-5-7-14(10-13)29(26,27)23-8-3-1-2-4-9-23/h5-7,10-11H,1-4,8-9,12H2,(H,20,25)(H3,19,21,22,24)