6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(3-methoxyphenyl)pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(3-methoxyphenyl)pyrimidin-4-one Openeye Name: 6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(3-methoxyphenyl)pyrimidin-4-one CAS Name: 6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(3-methoxyphenyl)-4-pyrimidinone IUPAC Name: 6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(3-methoxyphenyl)pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-(3-methoxyphenyl)pyrimidin-4-one Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCCC3)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCCC3)N

InChI

InChI=1S/C19H24N4O3S/c1-26-15-8-6-7-14(11-15)23-16(20)12-17(24)21-19(23)27-13-18(25)22-9-4-2-3-5-10-22/h6-8,11-12H,2-5,9-10,13,20H2,1H3