2-(1H-1,4-diazepin-7-yl)-6-ethynyl-N-(2-methoxyethyl)quinazolin-4-amine

Systemtic Name: 2-(1H-1,4-diazepin-7-yl)-6-ethynyl-N-(2-methoxyethyl)quinazolin-4-amine Openeye Name: 2-(1H-1,4-diazepin-7-yl)-6-ethynyl-N-(2-methoxyethyl)quinazolin-4-amine CAS Name: 2-(1H-1,4-diazepin-7-yl)-6-ethynyl-N-(2-methoxyethyl)-4-quinazolinamine IUPAC Name: 2-(1H-1,4-diazepin-7-yl)-6-ethynyl-N-(2-methoxyethyl)quinazolin-4-amine Traditional Name: [2-(1H-1,4-diazepin-7-yl)-6-ethynyl-quinazolin-4-yl]-(2-methoxyethyl)amine Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=C(C=C2)C#C)C3=CC=NC=CN3

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=C(C=C2)C#C)C3=CC=NC=CN3

InChI

InChI=1S/C18H17N5O/c1-3-13-4-5-15-14(12-13)17(21-10-11-24-2)23-18(22-15)16-6-7-19-8-9-20-16/h1,4-9,12,20H,10-11H2,2H3,(H,21,22,23)