3-(4-oxidanyl-2,3,3-triphosphoroso-oxolan-2-yl)-4-(pentylamino)pyrrole-2,5-dione

Systemtic Name: 3-(4-oxidanyl-2,3,3-triphosphoroso-oxolan-2-yl)-4-(pentylamino)pyrrole-2,5-dione Openeye Name: 3-(4-hydroxy-2,3,3-triphosphoroso-tetrahydrofuran-2-yl)-4-(pentylamino)pyrrole-2,5-dione CAS Name: 3-(4-hydroxy-2,3,3-triphosphoroso-2-oxolanyl)-4-(pentylamino)pyrrole-2,5-dione IUPAC Name: 3-(4-hydroxy-2,3,3-triphosphorosooxolan-2-yl)-4-(pentylamino)pyrrole-2,5-dione Traditional Name: 3-(amylamino)-4-(4-hydroxy-2,3,3-triphosphoroso-tetrahydrofuran-2-yl)-3-pyrroline-2,5-quinone Formula: C13H17N2O7P3 MolecularWeight: 406.204563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=O)NC1=O)C2(C(C(CO2)O)(P=O)P=O)P=O

Isomeric SMILES

CCCCCNC1=C(C(=O)NC1=O)C2(C(C(CO2)O)(P=O)P=O)P=O

InChI

InChI=1S/C13H17N2O7P3/c1-2-3-4-5-14-9-8(10(17)15-11(9)18)12(23-19)13(24-20,25-21)7(16)6-22-12/h7,16H,2-6H2,1H3,(H2,14,15,17,18)