ethyl 4-(furan-2-ylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c][1,2]diazirine

Systemtic Name: ethyl 4-(furan-2-ylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c][1,2]diazirine Openeye Name: ethyl 4-(2-furylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c]diazirine CAS Name: 4-(2-furanylmethyl)-1-piperidinecarboxylic acid ethyl ester; 1H-purino[8,9-c]diazirine IUPAC Name: ethyl 4-(furan-2-ylmethyl)piperidine-1-carboxylate; 1H-purino[8,9-c]diazirine Traditional Name: 4-(2-furfuryl)piperidine-1-carboxylic acid ethyl ester; 1H-purino[8,9-c]diazirine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CC2=CC=CO2.C1=C2C(=NC=N1)N3C(=N2)N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CC2=CC=CO2.C1=C2C(=NC=N1)N3C(=N2)N3

InChI

InChI=1S/C13H19NO3.C5H3N5/c1-2-16-13(15)14-7-5-11(6-8-14)10-12-4-3-9-17-12;1-3-4(7-2-6-1)10-5(8-3)9-10/h3-4,9,11H,2,5-8,10H2,1H3;1-2H,(H,8,9)