3-methyl-7-[(2R)-2-oxidanylpropyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanylpropyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C19H24N6O3/c1-13(26)12-25-15-16(22(2)19(28)21-17(15)27)20-18(25)24-10-8-23(9-11-24)14-6-4-3-5-7-14/h3-7,13,26H,8-12H2,1-2H3,(H,21,27,28)/t13-/m1/s1