1-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)chloranuidylphenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)chloranuidylphenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-(4-amino-5-cyano-pyrimidin-2-yl)chloranuidylphenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[(4-amino-5-cyano-2-pyrimidinyl)chloranuidyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-(4-amino-5-cyanopyrimidin-2-yl)chloranuidylphenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-(4-amino-5-cyano-pyrimidin-2-yl)chloranuidylphenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C22H16ClN8S- MolecularWeight: 459.93404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3[Cl-]C4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3[Cl-]C4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C22H16ClN8S/c24-12-15-13-26-21(29-20(15)25)23-16-8-4-5-9-18(16)27-22(32)28-19-11-10-17(30-31-19)14-6-2-1-3-7-14/h1-11,13H,(H2,25,26,29)(H2,27,28,31,32)/q-1