(4S)-4-[bis(benzotriazol-1-yl)methyl]-1,4-dihydroquinazoline

Systemtic Name: (4S)-4-[bis(benzotriazol-1-yl)methyl]-1,4-dihydroquinazoline Openeye Name: (4S)-4-[bis(benzotriazol-1-yl)methyl]-1,4-dihydroquinazoline CAS Name: (4S)-4-[bis(1-benzotriazolyl)methyl]-1,4-dihydroquinazoline IUPAC Name: (4S)-4-[bis(benzotriazol-1-yl)methyl]-1,4-dihydroquinazoline Traditional Name: (4S)-4-[bis(benzotriazol-1-yl)methyl]-1,4-dihydroquinazoline Formula: C21H16N8 MolecularWeight: 380.40534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N=CN2)C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](N=CN2)C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C21H16N8/c1-2-8-15-14(7-1)20(23-13-22-15)21(28-18-11-5-3-9-16(18)24-26-28)29-19-12-6-4-10-17(19)25-27-29/h1-13,20-21H,(H,22,23)/t20-/m0/s1