N-(3-azanylpropyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]pyridine-4-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]pyridine-4-carboxamide Openeye Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]pyridine-4-carboxamide CAS Name: N-(3-aminopropyl)-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]-4-pyridinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]pyridine-4-carboxamide Traditional Name: N-(3-aminopropyl)-N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]isonicotinamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H28N6O3/c1-3-20(30(15-7-12-26)24(32)19-10-13-27-14-11-19)22-28-23-21(17(2)29-34-23)25(33)31(22)16-18-8-5-4-6-9-18/h4-6,8-11,13-14,20H,3,7,12,15-16,26H2,1-2H3