5-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(hydroxymethyl)-N-(pyrimidin-2-ylmethyl)-3-pyrrolidin-1-yl-2H-pyrazine-1-carboxamide

Systemtic Name: 5-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(hydroxymethyl)-N-(pyrimidin-2-ylmethyl)-3-pyrrolidin-1-yl-2H-pyrazine-1-carboxamide Openeye Name: 5-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(hydroxymethyl)-N-(pyrimidin-2-ylmethyl)-3-pyrrolidin-1-yl-2H-pyrazine-1-carboxamide CAS Name: 5-[(3-chloro-4-methoxyphenyl)methylamino]-6-(hydroxymethyl)-N-(2-pyrimidinylmethyl)-3-(1-pyrrolidinyl)-2H-pyrazine-1-carboxamide IUPAC Name: 5-[(3-chloro-4-methoxyphenyl)methylamino]-6-(hydroxymethyl)-N-(pyrimidin-2-ylmethyl)-3-pyrrolidin-1-yl-2H-pyrazine-1-carboxamide Traditional Name: 5-[(3-chloro-4-methoxy-benzyl)amino]-6-methylol-N-(2-pyrimidylmethyl)-3-pyrrolidino-2H-pyrazine-1-carboxamide Formula: C23H28ClN7O3 MolecularWeight: 485.96652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(N(CC(=N2)N3CCCC3)C(=O)NCC4=NC=CC=N4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(N(CC(=N2)N3CCCC3)C(=O)NCC4=NC=CC=N4)CO)Cl

InChI

InChI=1S/C23H28ClN7O3/c1-34-19-6-5-16(11-17(19)24)12-27-22-18(15-32)31(14-21(29-22)30-9-2-3-10-30)23(33)28-13-20-25-7-4-8-26-20/h4-8,11,27,32H,2-3,9-10,12-15H2,1H3,(H,28,33)