benzene; 5-ethynyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Systemtic Name: benzene; 5-ethynyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine Openeye Name: benzene; 5-ethynyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine CAS Name: benzene; 5-ethynyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine IUPAC Name: benzene; 5-ethynyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine Traditional Name: (2-amino-5-ethynyl-5,6,7,8-tetrahydroquinazolin-4-yl)amine; benzene Formula: C16H18N4 MolecularWeight: 266.34092

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCC2=C1C(=NC(=N2)N)N.C1=CC=CC=C1

Isomeric SMILES

C#CC1CCCC2=C1C(=NC(=N2)N)N.C1=CC=CC=C1

InChI

InChI=1S/C10H12N4.C6H6/c1-2-6-4-3-5-7-8(6)9(11)14-10(12)13-7;1-2-4-6-5-3-1/h1,6H,3-5H2,(H4,11,12,13,14);1-6H