7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-[(3S)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-[(3S)-3-methyl-1-piperidinyl]purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-[(3S)-3-methylpiperidino]xanthine Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC=C(C)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2C/C=C(/C)\Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H22ClN5O2/c1-10-5-4-7-21(9-10)15-18-13-12(22(15)8-6-11(2)17)14(23)19-16(24)20(13)3/h6,10H,4-5,7-9H2,1-3H3,(H,19,23,24)/b11-6-/t10-/m0/s1