3-[2-(3-aminophenyl)ethyl]-8-(furan-3-ylmethyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-8-(furan-3-ylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-8-(3-furylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-8-(3-furanylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-8-(furan-3-ylmethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-8-(3-furfuryl)-1-propyl-7H-purine-2,6-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=COC=C3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=COC=C3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C21H23N5O3/c1-2-8-26-20(27)18-19(24-17(23-18)12-15-7-10-29-13-15)25(21(26)28)9-6-14-4-3-5-16(22)11-14/h3-5,7,10-11,13H,2,6,8-9,12,22H2,1H3,(H,23,24)