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

Systemtic Name: 1,3-dipropyl-8-[6-(thiophen-2-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[6-(2-thienylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[6-(thiophen-2-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[6-(2-thenylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CS4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CS4

InChI

InChI=1S/C21H26N6O2S/c1-3-9-26-19-17(20(28)27(10-4-2)21(26)29)24-18(25-19)14-7-8-16(22-12-14)23-13-15-6-5-11-30-15/h5-8,11-12,17,19H,3-4,9-10,13H2,1-2H3,(H,22,23)(H,24,25)