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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[bis(2-hydroxyethyl)amino]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[bis(2-hydroxyethyl)amino]-3-methyl-xanthine Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC=C

InChI

InChI=1S/C13H19N5O4/c1-3-4-18-9-10(16(2)13(22)15-11(9)21)14-12(18)17(5-7-19)6-8-20/h3,19-20H,1,4-8H2,2H3,(H,15,21,22)