4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyrimidinylamino)ethyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyrimidylamino)ethyl]-4-piperidyl]benzamide hydrate Formula: C20H29ClN6O4 MolecularWeight: 452.93506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC3=NC=CC=N3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC3=NC=CC=N3.O

InChI

InChI=1S/C20H27ClN6O3.H2O/c1-29-17-11-15(22)14(21)10-13(17)19(28)26-16-4-8-27(12-18(16)30-2)9-7-25-20-23-5-3-6-24-20;/h3,5-6,10-11,16,18H,4,7-9,12,22H2,1-2H3,(H,26,28)(H,23,24,25);1H2