8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(1R)-1-phenylethyl]purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(1R)-1-phenylethyl]purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(1R)-1-phenylethyl]purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-[(1R)-1-phenylethyl]purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(1R)-1-phenylethyl]purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(1R)-1-phenylethyl]xanthine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H23N7O2/c1-14(15-7-4-3-5-8-15)27-16-17(25(2)20(29)24-18(16)28)23-19(27)22-9-6-11-26-12-10-21-13-26/h3-5,7-8,10,12-14H,6,9,11H2,1-2H3,(H,22,23)(H,24,28,29)/t14-/m1/s1