1-(2,2-dimethylpropyl)-3-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]pyrimido[4,5-e][1,3,4]oxadiazine-7-carbonitrile

Systemtic Name: 1-(2,2-dimethylpropyl)-3-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]pyrimido[4,5-e][1,3,4]oxadiazine-7-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-3-[4-[1-(2-methoxyethyl)-4-piperidyl]phenyl]pyrimido[4,5-e][1,3,4]oxadiazine-7-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-3-[4-[1-(2-methoxyethyl)-4-piperidinyl]phenyl]-7-pyrimido[4,5-e][1,3,4]oxadiazinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-3-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]pyrimido[4,5-e][1,3,4]oxadiazine-7-carbonitrile Traditional Name: 3-[4-[1-(2-methoxyethyl)-4-piperidyl]phenyl]-1-neopentyl-pyrimido[4,5-e][1,3,4]oxadiazine-7-carbonitrile Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2OC(=N1)C3=CC=C(C=C3)C4CCN(CC4)CCOC)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2OC(=N1)C3=CC=C(C=C3)C4CCN(CC4)CCOC)C#N

InChI

InChI=1S/C25H32N6O2/c1-25(2,3)17-31-23-21(16-27-22(15-26)28-23)33-24(29-31)20-7-5-18(6-8-20)19-9-11-30(12-10-19)13-14-32-4/h5-8,16,19H,9-14,17H2,1-4H3