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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-xanthine Formula: C14H20ClN5O4 MolecularWeight: 357.7927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN5O4/c1-3-9(15)8-20-10-11(18(2)14(24)17-12(10)23)16-13(20)19(4-6-21)5-7-22/h3,21-22H,4-8H2,1-2H3,(H,17,23,24)/b9-3-