N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2,6-bis(oxidanylidene)-3H-purine-9-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2,6-bis(oxidanylidene)-3H-purine-9-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2,6-dioxo-3H-purine-9-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2,6-dioxo-3H-purine-9-carboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2,6-dioxo-3H-purine-9-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-2,6-diketo-3H-purine-9-carboxamide Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)N3C=NC4=C3NC(=O)NC4=O

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)N3C=NC4=C3NC(=O)NC4=O

InChI

InChI=1S/C17H17N7O4/c18-13(19)8-1-2-11-10(5-8)9(6-28-11)3-4-20-17(27)24-7-21-12-14(24)22-16(26)23-15(12)25/h1-2,5,7,9H,3-4,6H2,(H3,18,19)(H,20,27)(H2,22,23,25,26)