N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethylpyrimidin-2-yl)ethyl]amino]-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

Systemtic Name: N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethylpyrimidin-2-yl)ethyl]amino]-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Openeye Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethylpyrimidin-2-yl)ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide CAS Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethyl-2-pyrimidinyl)ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide IUPAC Name: N-[(6-amino-2-methylpyridin-3-yl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethylpyrimidin-2-yl)ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Traditional Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-3-[[2-(2,4-dimethylphenyl)-2-(5-ethylpyrimidin-2-yl)ethyl]amino]-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Formula: C31H36N8O2 MolecularWeight: 552.66994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)C(CNC2=NC=C3CCC(N3C2=O)C(=O)NCC4=C(N=C(C=C4)N)C)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC1=CN=C(N=C1)C(CNC2=NC=C3CCC(N3C2=O)C(=O)NCC4=C(N=C(C=C4)N)C)C5=C(C=C(C=C5)C)C

InChI

InChI=1S/C31H36N8O2/c1-5-21-13-33-28(34-14-21)25(24-9-6-18(2)12-19(24)3)17-36-29-31(41)39-23(16-35-29)8-10-26(39)30(40)37-15-22-7-11-27(32)38-20(22)4/h6-7,9,11-14,16,25-26H,5,8,10,15,17H2,1-4H3,(H2,32,38)(H,35,36)(H,37,40)