isoquinoline; 2,3,5-trimethylpyrazine

Systemtic Name: isoquinoline; 2,3,5-trimethylpyrazine Openeye Name: isoquinoline; 2,3,5-trimethylpyrazine CAS Name: isoquinoline; 2,3,5-trimethylpyrazine IUPAC Name: isoquinoline; 2,3,5-trimethylpyrazine Traditional Name: isoquinoline; 2,3,5-trimethylpyrazine Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C)C.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CC1=CN=C(C(=N1)C)C.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N.C7H10N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-5-4-8-6(2)7(3)9-5/h1-7H;4H,1-3H3