4-azanyl-5-chloranyl-N-[3-methoxy-1-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[3-methoxy-1-[3-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-5-chloro-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-5-chloro-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-5-chloro-N-[3-methoxy-1-[3-[(6-oxo-1H-pyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-5-chloro-N-[1-[3-[(6-keto-1H-pyrimidin-2-yl)amino]propyl]-3-methoxy-4-piperidyl]coumaran-7-carboxamide Formula: C22H29ClN6O4 MolecularWeight: 476.95646

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CCCNC4=NC=CC(=O)N4

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CCCNC4=NC=CC(=O)N4

InChI

InChI=1S/C22H29ClN6O4/c1-32-17-12-29(8-2-6-25-22-26-7-3-18(30)28-22)9-4-16(17)27-21(31)14-11-15(23)19(24)13-5-10-33-20(13)14/h3,7,11,16-17H,2,4-6,8-10,12,24H2,1H3,(H,27,31)(H2,25,26,28,30)