1,3-bis(oxidanylidene)-2-(2-oxidanyl-3-phenylmethoxy-propyl)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

Systemtic Name: 1,3-bis(oxidanylidene)-2-(2-oxidanyl-3-phenylmethoxy-propyl)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile CAS Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile Traditional Name: 2-(3-benzoxy-2-hydroxy-propyl)-1,3-diketo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)N(C(=O)N2C1)CC(COCC3=CC=CC=C3)O)C#N

Isomeric SMILES

C1CC2=C(C(=O)N(C(=O)N2C1)CC(COCC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C18H19N3O4/c19-9-15-16-7-4-8-20(16)18(24)21(17(15)23)10-14(22)12-25-11-13-5-2-1-3-6-13/h1-3,5-6,14,22H,4,7-8,10-12H2