3-methyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-xanthine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCC=C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2NCC=C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H23N5O4/c1-4-9-20-18-21-16-15(17(26)22-19(27)23(16)3)24(18)10-13(25)11-28-14-7-5-12(2)6-8-14/h4-8,13,25H,1,9-11H2,2-3H3,(H,20,21)(H,22,26,27)/t13-/m0/s1