3-azanyl-N-[5-(3-azanylpiperidin-1-yl)-2-oxidanylidene-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[5-(3-azanylpiperidin-1-yl)-2-oxidanylidene-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)pyrazine-2-carboxamide Openeye Name: 3-amino-N-[5-(3-amino-1-piperidyl)-2-oxo-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)pyrazine-2-carboxamide CAS Name: 3-amino-N-[5-(3-amino-1-piperidinyl)-2-oxo-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[5-(3-aminopiperidin-1-yl)-2-oxo-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)pyrazine-2-carboxamide Traditional Name: 3-amino-N-[5-(3-aminopiperidino)-2-keto-1H-pyrimidin-6-yl]-6-(2-cyanophenyl)pyrazinamide Formula: C21H21N9O2 MolecularWeight: 431.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(NC(=O)N=C2)NC(=O)C3=NC(=CN=C3N)C4=CC=CC=C4C#N)N

Isomeric SMILES

C1CC(CN(C1)C2=C(NC(=O)N=C2)NC(=O)C3=NC(=CN=C3N)C4=CC=CC=C4C#N)N

InChI

InChI=1S/C21H21N9O2/c22-8-12-4-1-2-6-14(12)15-9-25-18(24)17(27-15)20(31)28-19-16(10-26-21(32)29-19)30-7-3-5-13(23)11-30/h1-2,4,6,9-10,13H,3,5,7,11,23H2,(H2,24,25)(H2,26,28,29,31,32)