2-[3-(6-aminopurin-9-yl)propylimino]naphthalene-1,4-dione

Systemtic Name: 2-[3-(6-aminopurin-9-yl)propylimino]naphthalene-1,4-dione Openeye Name: 2-[3-(6-aminopurin-9-yl)propylimino]tetralin-1,4-dione CAS Name: 2-[3-(6-aminopurin-9-yl)propylimino]naphthalene-1,4-dione IUPAC Name: 2-[3-(6-aminopurin-9-yl)propylimino]naphthalene-1,4-dione Traditional Name: 2-(3-adenin-9-ylpropylimino)tetralin-1,4-quinone Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NCCCN2C=NC3=C2N=CN=C3N)C(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

C1C(=NCCCN2C=NC3=C2N=CN=C3N)C(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C18H16N6O2/c19-17-15-18(22-9-21-17)24(10-23-15)7-3-6-20-13-8-14(25)11-4-1-2-5-12(11)16(13)26/h1-2,4-5,9-10H,3,6-8H2,(H2,19,21,22)