1-ethyl-3-[6-[2-(propan-2-ylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-[2-(propan-2-ylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-[2-(isopropylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[6-[2-(propan-2-ylamino)-5-pyrimidinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-[2-(propan-2-ylamino)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-[2-(isopropylamino)pyrimidin-5-yl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]urea Formula: C21H23N9O MolecularWeight: 417.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(N=C3)NC(C)C)C4=NC=CC=N4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(N=C3)NC(C)C)C4=NC=CC=N4

InChI

InChI=1S/C21H23N9O/c1-4-22-21(31)30-20-28-16-9-13(14-10-25-19(26-11-14)27-12(2)3)8-15(17(16)29-20)18-23-6-5-7-24-18/h5-12H,4H2,1-3H3,(H,25,26,27)(H3,22,28,29,30,31)