7-[(3S)-3-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(3S)-3-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(3S)-3-(6-aminopurin-9-yl)-4-hydroxy-butoxy]-4-methyl-chromen-2-one CAS Name: 7-[(3S)-3-(6-aminopurin-9-yl)-4-hydroxybutoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(3S)-3-(6-aminopurin-9-yl)-4-hydroxybutoxy]-4-methylchromen-2-one Traditional Name: 7-[(3S)-3-adenin-9-yl-4-hydroxy-butoxy]-4-methyl-coumarin Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(CO)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[C@@H](CO)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C19H19N5O4/c1-11-6-16(26)28-15-7-13(2-3-14(11)15)27-5-4-12(8-25)24-10-23-17-18(20)21-9-22-19(17)24/h2-3,6-7,9-10,12,25H,4-5,8H2,1H3,(H2,20,21,22)/t12-/m0/s1