2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-yl-purin-8-yl]-N-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-yl-purin-8-yl]-N-methyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholino-purin-8-yl]-N-methyl-thiazole-4-carboxamide CAS Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-(4-morpholinyl)-8-purinyl]-N-methyl-4-thiazolecarboxamide IUPAC Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholin-4-ylpurin-8-yl]-N-methyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[2-(ethylcarbamoylamino)-9-methyl-6-morpholino-purin-8-yl]-N-methyl-thiazole-4-carboxamide Formula: C18H23N9O3S MolecularWeight: 445.49872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C)C4=NC(=CS4)C(=O)NC

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C)C4=NC(=CS4)C(=O)NC

InChI

InChI=1S/C18H23N9O3S/c1-4-20-18(29)25-17-23-12-11(13(24-17)27-5-7-30-8-6-27)22-14(26(12)3)16-21-10(9-31-16)15(28)19-2/h9H,4-8H2,1-3H3,(H,19,28)(H2,20,23,24,25,29)