2-azanyl-9-[(2R,4S,5R)-4-(2-azanyl-3-methyl-phenyl)carbonyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-4-(2-azanyl-3-methyl-phenyl)carbonyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-4-(2-amino-3-methyl-benzoyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-4-[(2-amino-3-methylphenyl)-oxomethyl]-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-(2-amino-3-methylbenzoyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-4-(2-amino-3-methyl-benzoyl)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)C2(CC(OC2CO)N3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)[C@@]2(C[C@@H](O[C@@H]2CO)N3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C18H20N6O5/c1-8-3-2-4-9(12(8)19)14(26)18(28)5-11(29-10(18)6-25)24-7-21-13-15(24)22-17(20)23-16(13)27/h2-4,7,10-11,25,28H,5-6,19H2,1H3,(H3,20,22,23,27)/t10-,11-,18+/m1/s1