8-[6-(pentylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[6-(pentylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(pentylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(pentylamino)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(pentylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(amylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC=C(C=C1)C2=NC3C(N2)C(=O)N(C(=O)N3CCC)CCC

Isomeric SMILES

CCCCCNC1=NC=C(C=C1)C2=NC3C(N2)C(=O)N(C(=O)N3CCC)CCC

InChI

InChI=1S/C21H32N6O2/c1-4-7-8-11-22-16-10-9-15(14-23-16)18-24-17-19(25-18)26(12-5-2)21(29)27(13-6-3)20(17)28/h9-10,14,17,19H,4-8,11-13H2,1-3H3,(H,22,23)(H,24,25)