N-[4-azanyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-5-ium-5-yl]furan-2-carboxamide

Systemtic Name: N-[4-azanyl-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-5-ium-5-yl]furan-2-carboxamide Openeye Name: N-[4-amino-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-5-ium-5-yl]furan-2-carboxamide CAS Name: N-[4-amino-1-(3-phenylpropyl)-5-pyrazolo[3,4-d]pyrimidin-5-iumyl]-2-furancarboxamide IUPAC Name: N-[4-amino-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-5-ium-5-yl]furan-2-carboxamide Traditional Name: N-[4-amino-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-5-ium-5-yl]-2-furamide Formula: C19H19N6O2+ MolecularWeight: 363.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=C(C=N2)C(=[N+](C=N3)NC(=O)C4=CC=CO4)N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=C(C=N2)C(=[N+](C=N3)NC(=O)C4=CC=CO4)N

InChI

InChI=1S/C19H18N6O2/c20-17-15-12-22-24(10-4-8-14-6-2-1-3-7-14)18(15)21-13-25(17)23-19(26)16-9-5-11-27-16/h1-3,5-7,9,11-13,20H,4,8,10H2,(H,23,26)/p+1