5-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile

Systemtic Name: 5-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile Openeye Name: 5-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile CAS Name: 5-[[4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-7-quinazolinyl]oxymethyl]-2-pyridinecarbonitrile IUPAC Name: 5-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylquinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile Traditional Name: 5-[[2-methyl-4-[(2S)-2-methylolpyrrolidino]quinazolin-7-yl]oxymethyl]picolinonitrile Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CN=C(C=C3)C#N)C(=N1)N4CCCC4CO

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CN=C(C=C3)C#N)C(=N1)N4CCC[C@H]4CO

InChI

InChI=1S/C21H21N5O2/c1-14-24-20-9-18(28-13-15-4-5-16(10-22)23-11-15)6-7-19(20)21(25-14)26-8-2-3-17(26)12-27/h4-7,9,11,17,27H,2-3,8,12-13H2,1H3/t17-/m0/s1