1-methyl-2,4-bis(oxidanylidene)-3-(2-oxidanyl-3-phenylmethoxy-propyl)pyrimidine-5-carbonitrile

Systemtic Name: 1-methyl-2,4-bis(oxidanylidene)-3-(2-oxidanyl-3-phenylmethoxy-propyl)pyrimidine-5-carbonitrile Openeye Name: 3-(3-benzyloxy-2-hydroxy-propyl)-1-methyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-(3-benzoxy-2-hydroxy-propyl)-2,4-diketo-1-methyl-pyrimidine-5-carbonitrile Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)CC(COCC2=CC=CC=C2)O)C#N

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)CC(COCC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C16H17N3O4/c1-18-8-13(7-17)15(21)19(16(18)22)9-14(20)11-23-10-12-5-3-2-4-6-12/h2-6,8,14,20H,9-11H2,1H3