8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-4,5-dihydropurine-2,6-quinone Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3C(N=C2NCC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3C(N=C2NCC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H27N5O4/c1-4-12-6-8-14(9-7-12)28-11-13(25)10-24-15-16(21-18(24)20-5-2)23(3)19(27)22-17(15)26/h6-9,13,15-16,25H,4-5,10-11H2,1-3H3,(H,20,21)(H,22,26,27)