8-[1-(phenylmethyl)pyrazol-4-yl]-7-prop-2-enyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-7-prop-2-enyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-allyl-8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-7-prop-2-enyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-7-prop-2-enyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-allyl-8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-xanthine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)CC=C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4)CC=C

InChI

InChI=1S/C24H28N6O2/c1-4-12-28-20-22(29(13-5-2)24(32)30(14-6-3)23(20)31)26-21(28)19-15-25-27(17-19)16-18-10-8-7-9-11-18/h4,7-11,15,17H,1,5-6,12-14,16H2,2-3H3