3-methyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(2-isopropylidenehydrazino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(N'-isopropylidenehydrazino)-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=C(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C3=C(N=C2NN=C(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H24N6O4/c1-11(2)22-23-18-20-16-15(17(27)21-19(28)24(16)4)25(18)9-13(26)10-29-14-8-6-5-7-12(14)3/h5-8,13,26H,9-10H2,1-4H3,(H,20,23)(H,21,27,28)/t13-/m0/s1