4-azanyl-5-chloranyl-N-[1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide dihydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide dihydrate Openeye Name: 4-amino-5-chloro-N-[1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide dihydrate CAS Name: 4-amino-5-chloro-N-[1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide dihydrate IUPAC Name: 4-amino-5-chloro-N-[1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide dihydrate Traditional Name: 4-amino-5-chloro-N-[1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide dihydrate Formula: C22H34ClN5O5S MolecularWeight: 516.05386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2CCC(C(C2)OC)NC(=O)C3=CC(=C(C=C3OC)N)Cl)C.O.O

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2CCC(C(C2)OC)NC(=O)C3=CC(=C(C=C3OC)N)Cl)C.O.O

InChI

InChI=1S/C22H30ClN5O3S.2H2O/c1-13-9-14(2)26-22(25-13)32-8-7-28-6-5-18(20(12-28)31-4)27-21(29)15-10-16(23)17(24)11-19(15)30-3;;/h9-11,18,20H,5-8,12,24H2,1-4H3,(H,27,29);2*1H2