N-methyl-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-2-carboxamide

Systemtic Name: N-methyl-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-2-carboxamide Openeye Name: 5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: 3,4-dihydroxy-N-methyl-5-[6-[(phenylmethyl)amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: 5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: 5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C18H20N6O4/c1-19-17(27)14-12(25)13(26)18(28-14)24-9-23-11-15(21-8-22-16(11)24)20-7-10-5-3-2-4-6-10/h2-6,8-9,12-14,18,25-26H,7H2,1H3,(H,19,27)(H,20,21,22)