5-[5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-phenyl]pent-4-ynenitrile

Systemtic Name: 5-[5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-phenyl]pent-4-ynenitrile Openeye Name: 5-[5-(2,4-diaminopyrimidin-5-yl)oxy-4-isopropyl-2-methoxy-phenyl]pent-4-ynenitrile CAS Name: 5-[5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-propan-2-ylphenyl]-4-pentynenitrile IUPAC Name: 5-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]pent-4-ynenitrile Traditional Name: 5-[5-(2,4-diaminopyrimidin-5-yl)oxy-4-isopropyl-2-methoxy-phenyl]pent-4-ynenitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)OC)C#CCCC#N)OC2=CN=C(N=C2N)N

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)OC)C#CCCC#N)OC2=CN=C(N=C2N)N

InChI

InChI=1S/C19H21N5O2/c1-12(2)14-10-15(25-3)13(7-5-4-6-8-20)9-16(14)26-17-11-23-19(22)24-18(17)21/h9-12H,4,6H2,1-3H3,(H4,21,22,23,24)