3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[2-keto-3-(7-methyl-5,6,8,9-tetrahydropyrimid[4,5-d]azepin-2-yl)imidazolidin-1-yl]cyclohexyl]propionic acid hydrochloride Formula: C21H32ClN5O3 MolecularWeight: 437.96348

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CN=C(N=C2CC1)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O.Cl

Isomeric SMILES

CN1CCC2=CN=C(N=C2CC1)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O.Cl

InChI

InChI=1S/C21H31N5O3.ClH/c1-24-10-8-16-14-22-20(23-18(16)9-11-24)26-13-12-25(21(26)29)17-5-2-15(3-6-17)4-7-19(27)28;/h14-15,17H,2-13H2,1H3,(H,27,28);1H