3-methyl-7-[(2S)-2-oxidanylpropyl]-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanylpropyl]-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazino]purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-[N'-(1-phenylbutylidene)hydrazino]xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=NNC1=NC2=C(N1C[C@H](C)O)C(=O)NC(=O)N2C)C3=CC=CC=C3

InChI

InChI=1S/C19H24N6O3/c1-4-8-14(13-9-6-5-7-10-13)22-23-18-20-16-15(25(18)11-12(2)26)17(27)21-19(28)24(16)3/h5-7,9-10,12,26H,4,8,11H2,1-3H3,(H,20,23)(H,21,27,28)/t12-/m0/s1