8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione hydrate hydrochloride

Systemtic Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione hydrate hydrochloride Openeye Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione hydrate hydrochloride CAS Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione hydrate hydrochloride IUPAC Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione hydrate hydrochloride Traditional Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-quinone hydrate hydrochloride Formula: C18H26ClN5O3 MolecularWeight: 395.88374

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)CN.O.Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)CN.O.Cl

InChI

InChI=1S/C18H23N5O2.ClH.H2O/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13;;/h5-8H,3-4,9-11,19H2,1-2H3,(H,20,21);1H;1H2