9-(phenylmethyl)-8-propan-2-yl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 9-(phenylmethyl)-8-propan-2-yl-1,3-dipropyl-purine-2,6-dione Openeye Name: 9-benzyl-8-isopropyl-1,3-dipropyl-purine-2,6-dione CAS Name: 9-(phenylmethyl)-8-propan-2-yl-1,3-dipropylpurine-2,6-dione IUPAC Name: 9-benzyl-8-propan-2-yl-1,3-dipropylpurine-2,6-dione Traditional Name: 9-benzyl-8-isopropyl-1,3-dipropyl-xanthine Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N=C(N2CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N=C(N2CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H28N4O2/c1-5-12-23-19-17(20(26)24(13-6-2)21(23)27)22-18(15(3)4)25(19)14-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3