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

Systemtic Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-(aminomethyl)phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C18H23N5O2 MolecularWeight: 341.40752

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/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)