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

Systemtic Name: 8-[2,6-bis(methylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[2,6-bis(methylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[2,6-bis(methylamino)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[2,6-bis(methylamino)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[2,6-bis(methylamino)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=C(C=C3)NC)NC

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=C(C=C3)NC)NC

InChI

InChI=1S/C18H27N7O2/c1-5-9-24-16-13(17(26)25(10-6-2)18(24)27)22-15(23-16)11-7-8-12(19-3)21-14(11)20-4/h7-8,13,16H,5-6,9-10H2,1-4H3,(H,22,23)(H2,19,20,21)