4-azanyl-3-chloranyl-3-methoxy-N-[3-methoxy-1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-yl]cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: 4-azanyl-3-chloranyl-3-methoxy-N-[3-methoxy-1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-yl]cyclohexa-1,4-diene-1-carboxamide Openeye Name: 4-amino-3-chloro-3-methoxy-N-[3-methoxy-1-[3-(pyrimidin-2-ylamino)propyl]-4-piperidyl]cyclohexa-1,4-diene-1-carboxamide CAS Name: 4-amino-3-chloro-3-methoxy-N-[3-methoxy-1-[3-(2-pyrimidinylamino)propyl]-4-piperidinyl]-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: 4-amino-3-chloro-3-methoxy-N-[3-methoxy-1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-yl]cyclohexa-1,4-diene-1-carboxamide Traditional Name: 4-amino-3-chloro-3-methoxy-N-[3-methoxy-1-[3-(2-pyrimidylamino)propyl]-4-piperidyl]cyclohexa-1,4-diene-1-carboxamide Formula: C21H31ClN6O3 MolecularWeight: 450.96224

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(C(=CC2)N)(OC)Cl)CCCNC3=NC=CC=N3

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(C(=CC2)N)(OC)Cl)CCCNC3=NC=CC=N3

InChI

InChI=1S/C21H31ClN6O3/c1-30-17-14-28(11-4-10-26-20-24-8-3-9-25-20)12-7-16(17)27-19(29)15-5-6-18(23)21(22,13-15)31-2/h3,6,8-9,13,16-17H,4-5,7,10-12,14,23H2,1-2H3,(H,27,29)(H,24,25,26)