8-(4-aminophenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(4-aminophenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-(4-aminophenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(4-aminophenyl)-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(4-aminophenyl)-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-(4-aminophenyl)-7-methyl-1,3-dipropyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-4-10-22-16-14(17(24)23(11-5-2)18(22)25)21(3)15(20-16)12-6-8-13(19)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3