N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3S/c20-16-15(21-17(26)13-8-4-3-5-9-13)18(27)23-19(22-16)28-12-14(25)24-10-6-1-2-7-11-24/h3-5,8-9H,1-2,6-7,10-12H2,(H,21,26)(H3,20,22,23,27)