7-[1-(3-azanylpropyl)indol-3-yl]-1,5-dihydropteridine-4,6-dione

Systemtic Name: 7-[1-(3-azanylpropyl)indol-3-yl]-1,5-dihydropteridine-4,6-dione Openeye Name: 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydropteridine-4,6-dione CAS Name: 7-[1-(3-aminopropyl)-3-indolyl]-1,5-dihydropteridine-4,6-dione IUPAC Name: 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydropteridine-4,6-dione Traditional Name: 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydropteridine-4,6-quinone Formula: C17H16N6O2 MolecularWeight: 336.34794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCN)C3=NC4=C(C(=O)N=CN4)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCN)C3=NC4=C(C(=O)N=CN4)NC3=O

InChI

InChI=1S/C17H16N6O2/c18-6-3-7-23-8-11(10-4-1-2-5-12(10)23)13-17(25)22-14-15(21-13)19-9-20-16(14)24/h1-2,4-5,8-9H,3,6-7,18H2,(H,22,25)(H,19,20,21,24)