4-[[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]butan-1-ol

Systemtic Name: 4-[[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]butan-1-ol Openeye Name: 4-[[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]butan-1-ol CAS Name: 4-[[2-(2H-benzotriazol-5-ylamino)-4-pyrimidinyl]-(1H-indazol-4-yl)amino]-1-butanol IUPAC Name: 4-[[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]butan-1-ol Traditional Name: 4-[[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]butan-1-ol Formula: C21H21N9O MolecularWeight: 415.45114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NN2)C(=C1)N(CCCCO)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4

Isomeric SMILES

C1=CC2=C(C=NN2)C(=C1)N(CCCCO)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4

InChI

InChI=1S/C21H21N9O/c31-11-2-1-10-30(19-5-3-4-16-15(19)13-23-26-16)20-8-9-22-21(25-20)24-14-6-7-17-18(12-14)28-29-27-17/h3-9,12-13,31H,1-2,10-11H2,(H,23,26)(H,22,24,25)(H,27,28,29)