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

Systemtic Name: N-(3-azanylpropyl)-4-methyl-N-[1-[4-oxidanylidene-5-(phenylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-isopropyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methyl-benzamide hydrochloride CAS Name: N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-5-(phenylmethyl)-3-propan-2-yl-6-isoxazolo[5,4-d]pyrimidinyl]propyl]benzamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-[1-(5-benzyl-4-oxo-3-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methylbenzamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-isopropyl-4-keto-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methyl-benzamide hydrochloride Formula: C29H36ClN5O3 MolecularWeight: 538.08084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O3.ClH/c1-5-23(33(17-9-16-30)28(35)22-14-12-20(4)13-15-22)26-31-27-24(25(19(2)3)32-37-27)29(36)34(26)18-21-10-7-6-8-11-21;/h6-8,10-15,19,23H,5,9,16-18,30H2,1-4H3;1H