5-bromanyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-5-bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Traditional Name: benzyl-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amine Formula: C17H17BrN6 MolecularWeight: 385.26108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3Br)NCC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3Br)NCC4=CC=CC=C4

InChI

InChI=1S/C17H17BrN6/c18-13-10-20-17(19-9-11-4-2-1-3-5-11)22-16(13)21-15-8-14(23-24-15)12-6-7-12/h1-5,8,10,12H,6-7,9H2,(H3,19,20,21,22,23,24)