7-[(Z)-2-chloranylbut-2-enyl]-8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-2-chloranylbut-2-enyl]-8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-purine-2,6-dione Openeye Name: 8-[benzyl(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-2-chlorobut-2-enyl]-8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methylpurine-2,6-dione IUPAC Name: 8-[benzyl(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-xanthine Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C19H22ClN5O3/c1-3-14(20)12-25-15-16(23(2)19(28)22-17(15)27)21-18(25)24(9-10-26)11-13-7-5-4-6-8-13/h3-8,26H,9-12H2,1-2H3,(H,22,27,28)/b14-3-