4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[3-[(6-keto-1H-pyrimidin-2-yl)amino]propyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C21H31ClN6O5 MolecularWeight: 482.96104

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCNC3=NC=CC(=O)N3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCNC3=NC=CC(=O)N3.O

InChI

InChI=1S/C21H29ClN6O4.H2O/c1-31-17-11-15(23)14(22)10-13(17)20(30)26-16-5-9-28(12-18(16)32-2)8-3-6-24-21-25-7-4-19(29)27-21;/h4,7,10-11,16,18H,3,5-6,8-9,12,23H2,1-2H3,(H,26,30)(H2,24,25,27,29);1H2