N-[[3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazin-2-yl]carbonylamino]-N'-diethoxyphosphoryl-methanimidamide

Systemtic Name: N-[[3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazin-2-yl]carbonylamino]-N'-diethoxyphosphoryl-methanimidamide Openeye Name: N-[[3-amino-6-chloro-5-(isopropylamino)pyrazine-2-carbonyl]amino]-N'-diethoxyphosphoryl-formamidine CAS Name: N-[[[3-amino-6-chloro-5-(propan-2-ylamino)-2-pyrazinyl]-oxomethyl]amino]-N'-diethoxyphosphorylmethanimidamide IUPAC Name: N-[[3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]-N'-diethoxyphosphorylmethanimidamide Traditional Name: N-[[3-amino-6-chloro-5-(isopropylamino)pyrazinoyl]amino]-N'-diethoxyphosphoryl-formamidine Formula: C13H23ClN7O4P MolecularWeight: 407.792981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N=CNNC(=O)C1=C(N=C(C(=N1)Cl)NC(C)C)N)OCC

Isomeric SMILES

CCOP(=O)(/N=C/NNC(=O)C1=C(N=C(C(=N1)Cl)NC(C)C)N)OCC

InChI

InChI=1S/C13H23ClN7O4P/c1-5-24-26(23,25-6-2)17-7-16-21-13(22)9-11(15)20-12(10(14)19-9)18-8(3)4/h7-8H,5-6H2,1-4H3,(H,21,22)(H3,15,18,20)(H,16,17,23)