3-[[5-[6-[(3-chlorophenyl)amino]pyrazin-2-yl]-6-isocyano-pyridin-3-yl]amino]propan-1-ol

Systemtic Name: 3-[[5-[6-[(3-chlorophenyl)amino]pyrazin-2-yl]-6-isocyano-pyridin-3-yl]amino]propan-1-ol Openeye Name: 3-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-6-isocyano-3-pyridyl]amino]propan-1-ol CAS Name: 3-[[5-[6-(3-chloroanilino)-2-pyrazinyl]-6-isocyano-3-pyridinyl]amino]-1-propanol IUPAC Name: 3-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-6-isocyanopyridin-3-yl]amino]propan-1-ol Traditional Name: 3-[[5-[6-(3-chloroanilino)pyrazin-2-yl]-6-isocyano-3-pyridyl]amino]propan-1-ol Formula: C19H17ClN6O MolecularWeight: 380.83088

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=NC=C(C=C1C2=CN=CC(=N2)NC3=CC(=CC=C3)Cl)NCCCO

Isomeric SMILES

[C-]#[N+]C1=NC=C(C=C1C2=CN=CC(=N2)NC3=CC(=CC=C3)Cl)NCCCO

InChI

InChI=1S/C19H17ClN6O/c1-21-19-16(9-15(10-24-19)23-6-3-7-27)17-11-22-12-18(26-17)25-14-5-2-4-13(20)8-14/h2,4-5,8-12,23,27H,3,6-7H2,(H,25,26)