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

Systemtic Name: 3,5-bis(azanyl)-N-[5-(3-azanylpiperidin-1-yl)-2-oxidanylidene-1H-pyrimidin-6-yl]-6-(2-methylphenyl)pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-[5-(3-amino-1-piperidyl)-2-oxo-1H-pyrimidin-6-yl]-6-(o-tolyl)pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[5-(3-amino-1-piperidinyl)-2-oxo-1H-pyrimidin-6-yl]-6-(2-methylphenyl)-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-[5-(3-aminopiperidin-1-yl)-2-oxo-1H-pyrimidin-6-yl]-6-(2-methylphenyl)pyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-[5-(3-aminopiperidino)-2-keto-1H-pyrimidin-6-yl]-6-(o-tolyl)pyrazinamide Formula: C21H25N9O2 MolecularWeight: 435.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N=C(C(=N2)C(=O)NC3=C(C=NC(=O)N3)N4CCCC(C4)N)N)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(N=C(C(=N2)C(=O)NC3=C(C=NC(=O)N3)N4CCCC(C4)N)N)N

InChI

InChI=1S/C21H25N9O2/c1-11-5-2-3-7-13(11)15-17(23)27-18(24)16(26-15)20(31)28-19-14(9-25-21(32)29-19)30-8-4-6-12(22)10-30/h2-3,5,7,9,12H,4,6,8,10,22H2,1H3,(H4,23,24,27)(H2,25,28,29,31,32)