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8-[(dipropylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

8-[(dipropylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name:8-[(dipropylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
Openeye Name:7-[(E)-cinnamyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione
CAS Name:8-[(dipropylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
IUPAC Name:8-[(dipropylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
Traditional Name:7-[(E)-cinnamyl]-8-[(dipropylamino)methyl]-3-methyl-xanthine
Formula: C22H29N5O2
MolecularWeight: 395.49796
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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CC=CC3=CC=CC=C3)C(=O)NC(=O)N2C


Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1C/C=C/C3=CC=CC=C3)C(=O)NC(=O)N2C


InChI

InChI=1S/C22H29N5O2/c1-4-13-26(14-5-2)16-18-23-20-19(21(28)24-22(29)25(20)3)27(18)15-9-12-17-10-7-6-8-11-17/h6-12H,4-5,13-16H2,1-3H3,(H,24,28,29)/b12-9+


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